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5K8T
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BU of 5k8t by Molmil
Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Cao, X, Li, Y, Jin, T.
Deposit date:2016-05-31
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
8W3V
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BU of 8w3v by Molmil
Crystal structure of human WDR41
Descriptor: WD repeat-containing protein 41
Authors:Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-02-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human WDR41
To be published
8XXN
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BU of 8xxn by Molmil
Cryo-EM structure of the human 43S ribosome with PDCD4
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 2024
8XXL
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BU of 8xxl by Molmil
Cryo-EM structure of the human 40S ribosome with PDCD4
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 2024
8XXM
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BU of 8xxm by Molmil
Cryo-EM structure of the human 40S ribosome with PDCD4 and eIF3G
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 2024
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
6C9F
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BU of 6c9f by Molmil
AMP-activated protein kinase bound to pharmacological activator R734
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-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:Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K.
Deposit date:2018-01-26
Release date:2018-11-28
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.924 Å)
Cite:Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
6C9H
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BU of 6c9h by Molmil
non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734
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:Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K.
Deposit date:2018-01-26
Release date:2018-11-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
8Z1E
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BU of 8z1e by Molmil
A homotrimeric GPCR architecture of the human cytomegalovirus (UL78) revealed by cryo-EM
Descriptor: Uncharacterized protein UL78
Authors:Chen, Y, Li, Y, Zhou, Q, Cong, Z, Lin, S, Yan, J, Chen, X, Yang, D, Ying, T, Wang, M.-W.
Deposit date:2024-04-11
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A homotrimeric GPCR architecture of the human cytomegalovirus revealed by cryo-EM
To Be Published
1C6V
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BU of 1c6v by Molmil
SIV INTEGRASE (CATALYTIC DOMAIN + DNA BIDING DOMAIN COMPRISING RESIDUES 50-293) MUTANT WITH PHE 185 REPLACED BY HIS (F185H)
Descriptor: PROTEIN (SIU89134), PROTEIN (SIV INTEGRASE)
Authors:Chen, Z, Yan, Y, Munshi, S, Li, Y, Zruygay-Murphy, J, Xu, B, Witmer, M, Felock, P, Wolfe, A, Sardana, V, Emini, E.A, Hazuda, D, Kuo, L.C.
Deposit date:1999-12-21
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform.
J.Mol.Biol., 296, 2000
1F2E
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BU of 1f2e by Molmil
STRUCTURE OF SPHINGOMONAD, GLUTATHIONE S-TRANSFERASE COMPLEXED WITH GLUTATHIONE
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Nishio, T, Watanabe, T, Patel, A, Wang, Y, Lau, P.C.K, Grochulski, P, Li, Y, Cygler, M.
Deposit date:2000-05-24
Release date:2000-06-21
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Properties of a Sphingomonad and Marine Bacterium Beta-Class Glutathione S-Transferases and Crystal Structure of the Former Complex with Glutathione
To be published
4X3G
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BU of 4x3g by Molmil
Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
Descriptor: E3 ubiquitin-protein ligase SIAH1, Ubiquitin carboxyl-terminal hydrolase 19, ZINC ION
Authors:Walker, J.R, Dong, A, Zhang, Q, Huang, X, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-11-28
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
To be published
4YWQ
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BU of 4ywq by Molmil
Crystal structure of the ROQ domain of human Roquin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-03-20
Release date:2015-04-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the ROQ domain of human Roquin-1
To be Published
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
4H53
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BU of 4h53 by Molmil
Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F.
Deposit date:2012-09-18
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
4H52
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BU of 4h52 by Molmil
Wild-type influenza N2 neuraminidase covalent complex with 3-fluoro-Neu5Ac
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ...
Authors:Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F.
Deposit date:2012-09-18
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
1APH
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BU of 1aph by Molmil
CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11
Descriptor: 1,2-DICHLOROETHANE, INSULIN A CHAIN (PH 7), INSULIN B CHAIN (PH 7)
Authors:Gursky, O, Badger, J, Li, Y, Caspar, D.L.D.
Deposit date:1992-10-30
Release date:1993-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes in cubic insulin crystals in the pH range 7-11.
Biophys.J., 63, 1992
1BPH
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BU of 1bph by Molmil
CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11
Descriptor: 1,2-DICHLOROETHANE, INSULIN A CHAIN (PH 9), INSULIN B CHAIN (PH 9), ...
Authors:Gursky, O, Badger, J, Li, Y, Caspar, D.L.D.
Deposit date:1992-10-30
Release date:1993-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes in cubic insulin crystals in the pH range 7-11.
Biophys.J., 63, 1992
1CPH
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BU of 1cph by Molmil
CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11
Descriptor: 1,2-DICHLOROETHANE, INSULIN (PH 10), SODIUM ION
Authors:Gursky, O, Badger, J, Li, Y, Caspar, D.L.D.
Deposit date:1992-10-30
Release date:1993-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational changes in cubic insulin crystals in the pH range 7-11.
Biophys.J., 63, 1992
1DBO
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BU of 1dbo by Molmil
CRYSTAL STRUCTURE OF CHONDROITINASE B
Descriptor: 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CHONDROITINASE B
Authors:Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M.
Deposit date:1999-11-03
Release date:2000-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution.
J.Mol.Biol., 294, 1999
5JQE
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BU of 5jqe by Molmil
Crystal structure of caspase8 tDED
Descriptor: Sugar ABC transporter substrate-binding protein,Caspase-8 chimera
Authors:Fu, T, Li, Y, Lu, A, Wu, H.
Deposit date:2016-05-04
Release date:2016-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.157 Å)
Cite:Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol. Cell, 64, 2016
5L08
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BU of 5l08 by Molmil
Cryo-EM structure of Casp-8 tDED filament
Descriptor: Caspase-8
Authors:Fu, T.M, Li, Y, Lu, A, Wu, H.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol.Cell, 64, 2016
6WSL
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BU of 6wsl by Molmil
Cryo-EM structure of VASH1-SVBP bound to microtubules
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Small vasohibin-binding protein, ...
Authors:Li, F, Li, Y, Yu, H.
Deposit date:2020-05-01
Release date:2020-08-26
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of VASH1-SVBP bound to microtubules.
Elife, 9, 2020
1L4U
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BU of 1l4u by Molmil
CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X.
Deposit date:2002-03-05
Release date:2002-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002

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