5IZ7
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![BU of 5iz7 by Molmil](/molmil-images/mine/5iz7) | Cryo-EM structure of thermally stable Zika virus strain H/PF/2013 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, structural protein E, structural protein M | Authors: | Kostyuchenko, V.A, Zhang, S, Fibriansah, G, Lok, S.M. | Deposit date: | 2016-03-25 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the thermally stable Zika virus Nature, 533, 2016
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4Y00
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![BU of 4y00 by Molmil](/molmil-images/mine/4y00) | Crystal Structure of Human TDP-43 RRM1 Domain with D169G Mutation in Complex with an Unmodified Single-stranded DNA | Descriptor: | DNA (5'-D(P*TP*TP*GP*AP*GP*CP*GP*T)-3'), TAR DNA-binding protein 43 | Authors: | Chiang, C.H, Kuo, P.H, Yang, W.Z, Yuan, H.S. | Deposit date: | 2015-02-05 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation Sci Rep, 6, 2016
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1RKG
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![BU of 1rkg by Molmil](/molmil-images/mine/1rkg) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MbisP and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | Deposit date: | 2003-11-21 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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5J18
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![BU of 5j18 by Molmil](/molmil-images/mine/5j18) | Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) | Descriptor: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf | Authors: | Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P. | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling. Cell, 165, 2016
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5J6D
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![BU of 5j6d by Molmil](/molmil-images/mine/5j6d) | Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine, FE (III) ION, ... | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S. | Deposit date: | 2016-04-04 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5J2K
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![BU of 5j2k by Molmil](/molmil-images/mine/5j2k) | |
1C3N
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![BU of 1c3n by Molmil](/molmil-images/mine/1c3n) | CRYSTAL STRUCTURE OF HELIANTHUS TUBEROSUS LECTIN COMPLEXED TO MAN(1-2)MAN | Descriptor: | AGGLUTININ, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Bourne, Y, Zamboni, V, Barre, A, Peumans, W.J, van Damme, E.J.M, Rouge, P. | Deposit date: | 1999-07-28 | Release date: | 2000-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Helianthus tuberosus lectin reveals a widespread scaffold for mannose-binding lectins. Structure Fold.Des., 7, 1999
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5TJ8
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5TJE
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![BU of 5tje by Molmil](/molmil-images/mine/5tje) | Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14 | Descriptor: | ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ... | Authors: | Achour, A, Sandalova, T, Allerbring, E, Popov, A. | Deposit date: | 2016-10-04 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant to be published
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5TM2
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![BU of 5tm2 by Molmil](/molmil-images/mine/5tm2) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | Descriptor: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1BPZ
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![BU of 1bpz by Molmil](/molmil-images/mine/1bpz) | HUMAN DNA POLYMERASE BETA COMPLEXED WITH NICKED DNA | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ... | Authors: | Sawaya, M.R, Prasad, R, Wilson, S.H, Kraut, J, Pelletier, H. | Deposit date: | 1997-04-14 | Release date: | 1997-06-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism. Biochemistry, 36, 1997
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5TC5
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![BU of 5tc5 by Molmil](/molmil-images/mine/5tc5) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2016-09-14 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | TBA To be published
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5TMS
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![BU of 5tms by Molmil](/molmil-images/mine/5tms) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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3IN9
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![BU of 3in9 by Molmil](/molmil-images/mine/3in9) | Crystal structure of heparin lyase I complexed with disaccharide heparin | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparin lyase I | Authors: | Han, Y.H, Ryu, K.S, Kim, H.Y, Jeon, Y.H. | Deposit date: | 2009-08-12 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural snapshots of heparin depolymerization by heparin lyase I J.Biol.Chem., 284, 2009
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4Y07
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![BU of 4y07 by Molmil](/molmil-images/mine/4y07) | Crystal structure of the HECT domain of human WWP2 | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Gong, W, Li, J, Li, Z, Xu, Y. | Deposit date: | 2015-02-05 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Structure of the HECT domain of human WWP2 Acta Crystallogr.,Sect.F, 71, 2015
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4Y29
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![BU of 4y29 by Molmil](/molmil-images/mine/4y29) | Identification of a novel PPARg ligand that regulates metabolism | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, R, Li, Y. | Deposit date: | 2015-02-09 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective targeting of PPAR gamma by the natural product chelerythrine with a unique binding mode and improved antidiabetic potency. Sci Rep, 5, 2015
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5JFR
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![BU of 5jfr by Molmil](/molmil-images/mine/5jfr) | Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery | Descriptor: | 1,2-ETHANEDIOL, 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole, DIMETHYL SULFOXIDE, ... | Authors: | Dougan, D.R, Lawson, J.D. | Deposit date: | 2016-04-19 | Release date: | 2016-05-25 | Last modified: | 2016-06-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2. Bioorg.Med.Chem.Lett., 26, 2016
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3IU9
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![BU of 3iu9 by Molmil](/molmil-images/mine/3iu9) | M. tuberculosis methionine aminopeptidase with Ni inhibitor T07 | Descriptor: | 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine, CHLORIDE ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.Z, Lu, J.P. | Deposit date: | 2009-08-30 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase J.Med.Chem., 53, 2010
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5TI3
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![BU of 5ti3 by Molmil](/molmil-images/mine/5ti3) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 17503468 | Descriptor: | 1,2-ETHANEDIOL, 2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E. | Deposit date: | 2016-09-30 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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5IVJ
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![BU of 5ivj by Molmil](/molmil-images/mine/5ivj) | Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid] | Descriptor: | 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-21 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.569 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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4XP8
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![BU of 4xp8 by Molmil](/molmil-images/mine/4xp8) | |
3IAD
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![BU of 3iad by Molmil](/molmil-images/mine/3iad) | |
5TM5
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![BU of 5tm5 by Molmil](/molmil-images/mine/5tm5) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | Descriptor: | 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1UDM
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![BU of 1udm by Molmil](/molmil-images/mine/1udm) | Solution structure of Coactosin-like protein (Cofilin family) from Mus Musculus | Descriptor: | Coactosin-like protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-01 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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4XRL
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![BU of 4xrl by Molmil](/molmil-images/mine/4xrl) | Crystal structure at room temperature of Erk2 in complex with an inhibitor | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-21 | Release date: | 2016-03-23 | Last modified: | 2016-03-30 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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