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7KZH
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BU of 7kzh by Molmil
Zinc finger antiviral protein (ZAP) central domain
Descriptor: ZINC ION, Zinc finger CCCH-type antiviral protein 1
Authors:Pornillos, O.P.
Deposit date:2020-12-10
Release date:2021-12-15
Last modified:2023-01-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Poly(ADP-ribose) potentiates ZAP antiviral activity.
Plos Pathog., 18, 2022
5EIU
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BU of 5eiu by Molmil
Mini TRIM5 B-box 2 dimer C2 crystal form
Descriptor: TRIM protein-E3 ligase Chimera, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2015-10-30
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5IEA
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BU of 5iea by Molmil
TRIM5 B-box2 and coiled-coil chimera
Descriptor: Tripartite motif-containing protein 5, Serine--tRNA ligase Chimera, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2016-02-25
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.258 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5F7T
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BU of 5f7t by Molmil
TRIM5 B-box2 and coiled-coil chimera
Descriptor: Tripartite motif-containing protein 5,Serine--tRNA ligase,Tripartite motif-containing protein 5, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2015-12-08
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5VA4
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BU of 5va4 by Molmil
TRIM-Cyclophilin A B-box 2 and coiled-coil chimera
Descriptor: TRIM5/cyclophilin A V4 fusion protein, ZINC ION
Authors:Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.W.
Deposit date:2017-03-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:General Model for Retroviral Capsid Pattern Recognition by TRIM5 Proteins.
J. Virol., 92, 2018
2AEW
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BU of 2aew by Molmil
A model for growth hormone receptor activation based on subunit rotation within a receptor dimer
Descriptor: Growth hormone receptor
Authors:Adams, J.J, McKinstry, W.J, Parker, M.W, Waters, M.J.
Deposit date:2005-07-24
Release date:2005-11-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Model for growth hormone receptor activation based on subunit rotation within a receptor dimer.
Nat.Struct.Mol.Biol., 12, 2005
8UUL
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BU of 8uul by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8JKM
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BU of 8jkm by Molmil
RN-1747 bound state of mTRPV4
Descriptor: Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-06-01
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8JON
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BU of 8jon by Molmil
Structure of a synthetic circadian clock protein KaiC mutant of cyanobacteria Synechococcus elongatus PCC 7942
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, ...
Authors:Jia, X, Zhang, Q, Li, S, Guo, J.
Deposit date:2023-06-07
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Adaptation of ancient cyanobacterial clock to the day length ~ 0.95 Ga ago
To Be Published
8J1F
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BU of 8j1f by Molmil
GSK101 bound state of mTRPV4
Descriptor: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1D
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BU of 8j1d by Molmil
Cryo-EM structure of apo state mTRPV4
Descriptor: Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1H
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BU of 8j1h by Molmil
Agonist1 and Ruthenium Red bound state of mTRPV4
Descriptor: 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one, Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1B
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BU of 8j1b by Molmil
GSK101 and Ruthenium Red bound state of mTRPV4
Descriptor: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
1JIF
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BU of 1jif by Molmil
Crystal structure of bleomycin-binding protein from bleomycin-producing Streptomyces verticillus complexed with copper(II)-bleomycin
Descriptor: BLEOMYCIN A2, CHLORIDE ION, COPPER (II) ION, ...
Authors:Sugiyama, M, Kumagai, T, Hayashida, M, Maruyama, M, Matoba, Y.
Deposit date:2001-07-02
Release date:2002-02-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6-A crystal structure of the copper(II)-bound bleomycin complexed with the bleomycin-binding protein from bleomycin-producing Streptomyces verticillus.
J.Biol.Chem., 277, 2002
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
5V84
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BU of 5v84 by Molmil
CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)
Descriptor: Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION
Authors:Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F.
Deposit date:2017-03-21
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
7BV6
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BU of 7bv6 by Molmil
Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
Descriptor: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
Authors:Li, Y, Pan, L.F.
Deposit date:2020-04-09
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PM9
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BU of 6pm9 by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719
Descriptor: (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J.
Deposit date:2019-07-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.
J.Med.Chem., 62, 2019
5DEU
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BU of 5deu by Molmil
Crystal structure of TET2-5hmC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ...
Authors:Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
Deposit date:2015-08-26
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020

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