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PDB: 1682 results

6B5G
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ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
8GV5
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Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7MSU
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Crystal structure of an archaeal CNNM, MtCorB, CBS-pair domain in complex with Mg2+-ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, ...
Authors:Chen, Y.S, Gehring, K.
Deposit date:2021-05-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
6DJ3
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Crystal structure of CNNM2 cyclic nucleotide-binding homology domain
Descriptor: 1,2-ETHANEDIOL, Metal transporter CNNM2
Authors:Chen, Y.S, Gehring, K.
Deposit date:2018-05-24
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The cyclic nucleotide-binding homology domain of the integral membrane protein CNNM mediates dimerization and is required for Mg2+efflux activity.
J. Biol. Chem., 293, 2018
8J3Z
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Cryo-EM structure of ATP-U46619-bound ABCC4
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ...
Authors:Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2023-04-18
Release date:2023-05-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
8J3W
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Cryo-EM structure of aspirin-bound ABCC4
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, ATP-binding cassette sub-family C member 4
Authors:Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2023-04-18
Release date:2023-05-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
8CTM
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Crystal structure of the nucleoside hydrolase from Leishmania donovani.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2022-05-16
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the nucleoside hydrolase from Leishmania donovani.
To Be Published
8CZZ
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BU of 8czz by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M.
Deposit date:2022-05-25
Release date:2023-05-31
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
8GV6
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BU of 8gv6 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV4
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A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28
Descriptor: PN-SIA28 heavy chain, PN-SIA28 light chain
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8DOK
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BU of 8dok by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IML
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The crystal structure of AsfvLIG:CT1 complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMJ
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BU of 6imj by Molmil
The crystal structure of Se-AsfvLIG:DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6KI3
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BU of 6ki3 by Molmil
The crystal structure of AsfvAP:dF commplex
Descriptor: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
Authors:Chen, Y, Gan, J.
Deposit date:2019-07-17
Release date:2020-05-27
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
8UAP
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BU of 8uap by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
Descriptor: (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
8UAQ
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Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
Descriptor: (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
6J67
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Crystal structure of the compound 34 in a complex with TRF2
Descriptor: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, Lei, M.
Deposit date:2019-01-14
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
8J54
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BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2023-04-21
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
3BUA
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BU of 3bua by Molmil
Crystal Structure of TRF2 TRFH domain and APOLLO peptide complex
Descriptor: DNA cross-link repair 1B protein, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2008-01-02
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3BQO
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BU of 3bqo by Molmil
Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
7M1U
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Crystal structure of an archaeal CNNM, MtCorB, R235L mutant with C-terminal deletion
Descriptor: Hemolysin, contains CBS domains
Authors:Chen, Y.S, Kozlov, G, Gehring, K.
Deposit date:2021-03-15
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
7M1T
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BU of 7m1t by Molmil
Crystal structure of an archaeal CNNM, MtCorB, with C-terminal deletion in complex with Mg2+-ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, contains CBS domains, ...
Authors:Chen, Y.S, Kozlov, G, Gehring, K.
Deposit date:2021-03-15
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021

224201

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