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5YFP
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BU of 5yfp by Molmil
Cryo-EM Structure of the Exocyst Complex
Descriptor: Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ...
Authors:Mei, K, Li, Y, Wang, S, Shao, G, Wang, J, Ding, Y, Luo, G, Yue, P, Liu, J.J, Wang, X, Dong, M.Q, Guo, W, Wang, H.W.
Deposit date:2017-09-21
Release date:2018-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the exocyst complex
Nat. Struct. Mol. Biol., 25, 2018
4AW2
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BU of 4aw2 by Molmil
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
5UZ0
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BU of 5uz0 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ...
Authors:Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J.
Deposit date:2017-02-24
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
6XBG
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BU of 6xbg by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6YG6
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BU of 6yg6 by Molmil
Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105
Descriptor: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
Authors:Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-03-27
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
4BEV
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BU of 4bev by Molmil
ATPase crystal structure with bound phosphate analogue
Descriptor: COPPER EFFLUX ATPASE, MAGNESIUM ION, TRIFLUOROMAGNESATE
Authors:Mattle, D, Drachmann, N.D, Liu, X.Y, Gourdon, P, Pedersen, B.P, Morth, P, Wang, J, Nissen, P.
Deposit date:2013-03-12
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.583 Å)
Cite:ATPase Crystal Structure with Bound Phosphate Analogue
To be Published
6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XFN
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BU of 6xfn by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
Descriptor: 3C-like proteinase, GLYCEROL, UAW243
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-15
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
5ZCS
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BU of 5zcs by Molmil
4.9 Angstrom Cryo-EM structure of human mTOR complex 2
Descriptor: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
Authors:Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structure of human mTOR complex 2.
Cell Res., 28, 2018
5G2X
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BU of 5g2x by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: 5'-R(*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*CP)-3', GROUP II INTRON, GROUP II INTRON-ENCODED PROTEIN LTRA
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
3ZON
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BU of 3zon by Molmil
Human TYK2 pseudokinase domain bound to a kinase inhibitor
Descriptor: 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2
Authors:Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-02-22
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
To be Published
1NMI
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BU of 1nmi by Molmil
Solution structure of the imidazole complex of iso-1 cytochrome c
Descriptor: Cytochrome c, iso-1, HEME C, ...
Authors:Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W.
Deposit date:2003-01-10
Release date:2003-02-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the imidazole complex of iso-1 cytochrome c
To be Published
4EAG
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BU of 4eag by Molmil
Co-crystal structure of an chimeric AMPK core with ATP
Descriptor: 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4EAL
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BU of 4eal by Molmil
Co-crystal of AMPK core with ATP soaked with AMP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4B99
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BU of 4b99 by Molmil
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
3NFS
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BU of 3nfs by Molmil
Crystal structure the Fab fragment of therapeutic antibody daclizumab
Descriptor: Heavy chain of Fab fragment of daclizumab, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
4BYG
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BU of 4byg by Molmil
ATPase crystal structure
Descriptor: COPPER EFFLUX ATPASE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ...
Authors:Mattle, D, Drachmann, N.D, Liu, X.Y, Pedersen, B.P, Morth, J.P, Wang, J, Gourdon, P, Nissen, P.
Deposit date:2013-07-19
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dephosphorylation of Pib-Type Cu(I)-Atpases as Studied by Metallofluoride Complexes
To be Published
1OZR
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BU of 1ozr by Molmil
Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
3J32
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BU of 3j32 by Molmil
An asymmetric unit map from electron cryo-microscopy of Haliotis diversicolor molluscan hemocyanin isoform 1 (HdH1)
Descriptor: Hemocyanin isoform 1
Authors:Zhang, Q, Dai, X, Cong, Y, Zhang, J, Chen, D.-H, Dougherty, M, Wang, J, Ludtke, S, Schmid, M.F, Chiu, W.
Deposit date:2013-02-20
Release date:2013-04-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structure of a molluscan hemocyanin suggests its allosteric mechanism.
Structure, 21, 2013
1OZL
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BU of 1ozl by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OZW
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BU of 1ozw by Molmil
Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
Descriptor: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-04-09
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
5WTH
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BU of 5wth by Molmil
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
5WTF
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BU of 5wtf by Molmil
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
1FXQ
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BU of 1fxq by Molmil
AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND A5P
Descriptor: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE
Authors:Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L.
Deposit date:2000-09-26
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism.
J.Biol.Chem., 276, 2001

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