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4HXR
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BU of 4hxr by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor
Descriptor: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
7OSL
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BU of 7osl by Molmil
Cryo-EM structure of nonameric EPEC SctV-C
Descriptor: Translocator EscV
Authors:Fahrenkamp, D, Wald, J, Yuan, B, Marlovits, T.C.
Deposit date:2021-06-09
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Dynamics of the Functional Nonameric Type III Translocase Export Gate.
J.Mol.Biol., 433, 2021
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
7OQP
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BU of 7oqp by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ113
Descriptor: ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OQO
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BU of 7oqo by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ111
Descriptor: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OQL
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BU of 7oql by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ094
Descriptor: (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
7PD4
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BU of 7pd4 by Molmil
structure of Adenylyl cyclase 9 in complex with MANT-GTP
Descriptor: Adenylate cyclase 9
Authors:Qi, C, Korkhov, V.M.
Deposit date:2021-08-04
Release date:2022-01-19
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
1HRI
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BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
9INS
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BU of 9ins by Molmil
MONOVALENT CATION BINDING IN CUBIC INSULIN CRYSTALS
Descriptor: INSULIN (CHAIN A), INSULIN (CHAIN B)
Authors:Badger, J, Dodson, G.G.
Deposit date:1991-10-23
Release date:1991-11-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monovalent cation binding to cubic insulin crystals
Biophys.J., 61, 1992
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5HJS
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BU of 5hjs by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
8K8S
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BU of 8k8s by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP
Descriptor: 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
Authors:Shen, Y.P, Li, Y.N, Yan, R.H.
Deposit date:2023-07-31
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
8K8U
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BU of 8k8u by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and dCTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
Authors:Shen, Y.P, Li, Y.N, Yan, R.H.
Deposit date:2023-07-31
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
Descriptor: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
7PD8
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BU of 7pd8 by Molmil
Structure of Adenylyl cyclase 9 in complex with DARPin C4 and MANT-GTP
Descriptor: Adenylate cyclase 9, DARPin C4
Authors:Qi, C, Korkhov, V.M.
Deposit date:2021-08-04
Release date:2022-01-19
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
7PDD
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BU of 7pdd by Molmil
Focus refinement of soluble domain of Adenylyl cyclase 9 in complex with DARPin C4 and MANT-GTP
Descriptor: Adenylate cyclase 9, DARPin C4
Authors:Qi, C, Korkhov, V.M.
Deposit date:2021-08-05
Release date:2022-01-19
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
7PDH
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BU of 7pdh by Molmil
structure of adenylyl cyclase 9 in complex with DARPin C4 and ATP-aS
Descriptor: Adenylate cyclase 9, DARPin C4
Authors:Qi, C, Korkhov, V.M.
Deposit date:2021-08-05
Release date:2022-01-19
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
7PDG
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BU of 7pdg by Molmil
structure of adenylyl cyclase 9 in complex with DARPin C4 and ATP-aS
Descriptor: Adenylate cyclase 9, DARPin C4
Authors:Qi, C, Korkhov, V.M.
Deposit date:2021-08-05
Release date:2022-01-19
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022

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