6H1Q
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5KZQ
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![BU of 5kzq by Molmil](/molmil-images/mine/5kzq) | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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4U7P
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![BU of 4u7p by Molmil](/molmil-images/mine/4u7p) | Crystal structure of DNMT3A-DNMT3L complex | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y. | Deposit date: | 2014-07-31 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.821 Å) | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A Nature, 517, 2015
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5WTH
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![BU of 5wth by Molmil](/molmil-images/mine/5wth) | Cryo-EM structure for Hepatitis A virus complexed with FAB | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-12 | Release date: | 2017-01-25 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4U7T
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![BU of 4u7t by Molmil](/molmil-images/mine/4u7t) | Crystal structure of DNMT3A-DNMT3L in complex with histone H3 | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y. | Deposit date: | 2014-07-31 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A Nature, 517, 2015
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5WTF
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![BU of 5wtf by Molmil](/molmil-images/mine/5wtf) | Cryo-EM structure for Hepatitis A virus empty particle | Descriptor: | VP0, VP1, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4KPY
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![BU of 4kpy by Molmil](/molmil-images/mine/4kpy) | DNA binding protein and DNA complex structure | Descriptor: | DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-05-14 | Release date: | 2014-01-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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4U7U
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![BU of 4u7u by Molmil](/molmil-images/mine/4u7u) | Crystal structure of RNA-guided immune Cascade complex from E.coli | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | Authors: | Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y. | Deposit date: | 2014-07-31 | Release date: | 2014-08-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli Nature, 515, 2014
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2Y7J
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![BU of 2y7j by Molmil](/molmil-images/mine/2y7j) | Structure of human phosphorylase kinase, gamma 2 | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHORYLASE B KINASE GAMMA CATALYTIC CHAIN, TESTIS/LIVER ISOFORM | Authors: | Muniz, J.R.C, Shrestha, A, Savitsky, P, Wang, J, Rellos, P, Fedorov, O, Burgess-Brown, N, Brenner, B, Berridge, G, Elkins, J.M, Krojer, T, Vollmar, M, Che, K.H, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2011-01-31 | Release date: | 2011-02-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Phosphorylase Kinase, Gamma 2 To be Published
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4UML
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![BU of 4uml by Molmil](/molmil-images/mine/4uml) | Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain | Descriptor: | GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2 | Authors: | Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2014-05-19 | Release date: | 2014-05-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Gdap2 To be Published
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1R5H
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![BU of 1r5h by Molmil](/molmil-images/mine/1r5h) | Crystal Structure of MetAP2 complexed with A320282 | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE | Authors: | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Erickson, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | Deposit date: | 2003-10-10 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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1R58
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![BU of 1r58 by Molmil](/molmil-images/mine/1r58) | Crystal Structure of MetAP2 complexed with A357300 | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE | Authors: | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Ericken, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | Deposit date: | 2003-10-09 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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1R5G
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![BU of 1r5g by Molmil](/molmil-images/mine/1r5g) | Crystal Structure of MetAP2 complexed with A311263 | Descriptor: | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE, MANGANESE (II) ION, Methionine aminopeptidase 2 | Authors: | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Erickson, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | Deposit date: | 2003-10-10 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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4V24
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![BU of 4v24 by Molmil](/molmil-images/mine/4v24) | Sphingosine kinase 1 in complex with PF-543 | Descriptor: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | Authors: | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | Deposit date: | 2014-10-05 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Sphingosine Kinase 1 with Pf-543. Acs Med.Chem.Lett., 5, 2014
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4TZ7
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![BU of 4tz7 by Molmil](/molmil-images/mine/4tz7) | Crystal structure of type I phosphatidylinositol 4-phosphate 5-kinase alpha from Zebrafish | Descriptor: | Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha | Authors: | Hu, J, Qin, Y, Wang, J, Li, L, Wu, D, Ha, Y. | Deposit date: | 2014-07-09 | Release date: | 2015-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Resolution of structure of PIP5K1A reveals molecular mechanism for its regulation by dimerization and dishevelled. Nat Commun, 6, 2015
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4AW2
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![BU of 4aw2 by Molmil](/molmil-images/mine/4aw2) | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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4B99
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![BU of 4b99 by Molmil](/molmil-images/mine/4b99) | Crystal Structure of MAPK7 (ERK5) with inhibitor | Descriptor: | 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7 | Authors: | Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor. J.Med.Chem., 56, 2013
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4ZYN
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![BU of 4zyn by Molmil](/molmil-images/mine/4zyn) | Crystal Structure of Parkin E3 ubiquitin ligase (linker deletion; delta 86-130) | Descriptor: | E3 ubiquitin-protein ligase parkin, SULFATE ION, ZINC ION | Authors: | Lilov, A, Sauve, V, Trempe, J.F, Rodionov, D, Wang, J, Gehring, K. | Deposit date: | 2015-05-21 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | A Ubl/ubiquitin switch in the activation of Parkin. Embo J., 34, 2015
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5KTJ
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![BU of 5ktj by Molmil](/molmil-images/mine/5ktj) | Crystal structure of Pistol, a class of self-cleaving ribozyme | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, Pistol (50-MER), ... | Authors: | Nguyen, L.A, Wang, J, Steitz, T.A. | Deposit date: | 2016-07-11 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Crystal structure of Pistol, a class of self-cleaving ribozyme. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1R89
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![BU of 1r89 by Molmil](/molmil-images/mine/1r89) | Crystal Structures of an Archaeal Class I CCA-Adding Enzyme and Its Nucleotide Complexes | Descriptor: | CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xiong, Y, Li, F, Wang, J, Weiner, A.M, Steitz, T.A. | Deposit date: | 2003-10-23 | Release date: | 2003-12-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of an archaeal class I CCA-adding enzyme and its nucleotide complexes Mol.Cell, 12, 2003
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1R8C
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![BU of 1r8c by Molmil](/molmil-images/mine/1r8c) | Crystal Structures of an Archaeal Class I CCA-Adding Enzyme and Its Nucleotide | Descriptor: | MANGANESE (II) ION, SODIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Xiong, Y, Li, F, Wang, J, Weiner, A.M, Steitz, T.A. | Deposit date: | 2003-10-23 | Release date: | 2003-12-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of an archaeal class I CCA-adding enzyme and its nucleotide complexes Mol.Cell, 12, 2003
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5A1Z
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![BU of 5a1z by Molmil](/molmil-images/mine/5a1z) | Cryo-EM structure of Dengue virus serotype 2 strain PVP94-07 complexed with human antibody 2D22 Fab at 37 degrees C | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, ENVELOPE PROTEIN, ... | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Jr, J.E, Lok, S.M. | Deposit date: | 2015-05-06 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
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4KMN
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![BU of 4kmn by Molmil](/molmil-images/mine/4kmn) | Structure of cIAP1-BIR3 and inhibitor | Descriptor: | (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ... | Authors: | Li, X, Wang, J, Condon, S.M, Shi, Y. | Deposit date: | 2013-05-08 | Release date: | 2014-05-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Structure of cIAP1-BIR3 and inhibitor To be Published
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5WS3
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![BU of 5ws3 by Molmil](/molmil-images/mine/5ws3) | Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ... | Authors: | Suno, R, Kimura, K, Nakane, T, Yamashita, K, Wang, J, Fujiwara, T, Yamanaka, Y, Im, D, Tsujimoto, H, Sasanuma, M, Horita, S, Hirokawa, T, Nango, E, Tono, K, Kameshima, T, Hatsui, T, Joti, Y, Yabashi, M, Shimamoto, K, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T. | Deposit date: | 2016-12-05 | Release date: | 2017-12-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA. Structure, 26, 2018
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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