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6DJ1
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BU of 6dj1 by Molmil
Wild-type HIV-1 protease in complex with Lopinavir
Descriptor: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
Authors:Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T.
Deposit date:2018-05-24
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
6DJ2
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BU of 6dj2 by Molmil
HIV-1 protease with single mutation L76V in complex with Lopinavir
Descriptor: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
Authors:Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T.
Deposit date:2018-05-24
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
3KVL
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BU of 3kvl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVK
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BU of 3kvk by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
1NW3
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BU of 1nw3 by Molmil
Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase
Descriptor: ACETATE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Min, J.R, Feng, Q, Li, Z.H, Zhang, Y, Xu, R.M.
Deposit date:2003-02-05
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase
Cell(Cambridge,Mass.), 112, 2003
7XTB
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BU of 7xtb by Molmil
Serotonin 6 (5-HT6) receptor-Gs-Nb35 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XTC
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BU of 7xtc by Molmil
Serotonin 7 (5-HT7) receptor-Gs-Nb35 complex
Descriptor: 3-(2-azanylethyl)-1H-indole-5-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XTA
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BU of 7xta by Molmil
Serotonin 4 (5-HT4) receptor-Gi-scFv16 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XT8
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BU of 7xt8 by Molmil
Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
7XT9
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BU of 7xt9 by Molmil
Serotonin 4 (5-HT4) receptor-Gs complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
3BM4
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BU of 3bm4 by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr
Descriptor: ADP-sugar pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MAGNESIUM ION
Authors:Zha, M, Guo, Q, Zhang, Y, Zhong, C, Ou, Y, Ding, J.
Deposit date:2007-12-12
Release date:2008-05-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Mechanism of ADP-Ribose Hydrolysis By Human NUDT5 From Structural and Kinetic Studies
J.Mol.Biol., 379, 2008
4MEX
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BU of 4mex by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H.
Deposit date:2013-08-27
Release date:2014-05-21
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (3.902 Å)
Cite:Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
5U0S
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BU of 5u0s by Molmil
Cryo-EM structure of the Mediator-RNAPII complex
Descriptor: Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ...
Authors:Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F.
Deposit date:2016-11-26
Release date:2017-03-08
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Shen, L, Zhang, Y.
Deposit date:2016-05-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
5VRT
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BU of 5vrt by Molmil
Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb
Descriptor: COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y.
Deposit date:2017-05-11
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
6NPW
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BU of 6npw by Molmil
SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide
Descriptor: PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ...
Authors:Irani, S, Zhang, Y.
Deposit date:2019-01-18
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription.
J.Biol.Chem., 294, 2019
5KPX
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BU of 5kpx by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure IV)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
Descriptor: Fz7 binding peptide
Authors:Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
Deposit date:2017-06-22
Release date:2018-04-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
3ORW
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BU of 3orw by Molmil
Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426
Descriptor: COBALT (II) ION, Phosphotriesterase
Authors:Zheng, B.S, Yu, S.S, Zhang, Y, Lou, Z.Y, Feng, Y.
Deposit date:2010-09-07
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426
To be Published
6O3C
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BU of 6o3c by Molmil
Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ...
Authors:Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A.
Deposit date:2019-02-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
5KPS
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BU of 5kps by Molmil
Structure of RelA bound to ribosome in absence of A/R tRNA (Structure I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
7SH6
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BU of 7sh6 by Molmil
Crystal structure of a PET hydrolase mutant from Ideonella Sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Kim, W, Zhang, Y.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Machine learning-aided engineering of hydrolases for PET depolymerization.
Nature, 604, 2022
6OS9
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BU of 6os9 by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-05-01
Release date:2019-07-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019

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