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5JRT
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BU of 5jrt by Molmil
Crystal structure of the human Tankyrase 2 (TNKS2) SAM domain (DH902/924RE)
Descriptor: Tankyrase-2
Authors:Guettler, S, Mariotti, L, Cronin, N.
Deposit date:2016-05-06
Release date:2016-08-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Tankyrase Requires SAM Domain-Dependent Polymerization to Support Wnt-beta-Catenin Signaling.
Mol.Cell, 63, 2016
6WLW
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BU of 6wlw by Molmil
The Vo region of human V-ATPase in state 1 (focused refinement)
Descriptor: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, L, Wu, H, Fu, T.-M.
Deposit date:2020-04-20
Release date:2020-11-11
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
6WMF
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BU of 6wmf by Molmil
Human Sun2-KASH5 complex
Descriptor: POTASSIUM ION, Protein KASH5, SUN domain-containing protein 2
Authors:Cruz, V.E, Schwartz, T.U.
Deposit date:2020-04-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of Different LINC Complexes Reveals Distinct Binding Modes.
J.Mol.Biol., 432, 2020
6X2F
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BU of 6x2f by Molmil
Mfd-bound E.coli RNA polymerase elongation complex - L2 state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A.
Deposit date:2020-05-20
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for transcription complex disruption by the Mfd translocase.
Elife, 10, 2021
5JWP
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BU of 5jwp by Molmil
Crystal structure of human FIH D201E variant in complex with Zn, alpha-ketoglutarate, and HIF1 alpha peptide.
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
Authors:Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
Deposit date:2016-05-12
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The facial triad in the alpha-ketoglutarate dependent oxygenase FIH: A role for sterics in linking substrate binding to O2 activation.
J.Inorg.Biochem., 166, 2016
5K16
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Crystal structure of free Ubiquitin-specific protease 12
Descriptor: GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 12, ZINC ION
Authors:Li, H, D'Andrea, A.D, Zheng, N.
Deposit date:2016-05-17
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
5K1C
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BU of 5k1c by Molmil
Crystal structure of the UAF1/WDR20/USP12 complex
Descriptor: PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ...
Authors:Li, H, D'Andrea, A.D, Zheng, N.
Deposit date:2016-05-18
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
5H1J
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BU of 5h1j by Molmil
Crystal structure of WD40 repeat domains of Gemin5
Descriptor: Gem-associated protein 5
Authors:Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
Deposit date:2016-10-10
Release date:2016-11-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
5G26
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BU of 5g26 by Molmil
Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN
Authors:Zabara, A, Newman, J, Peat, T.S.
Deposit date:2016-04-07
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins.
Nanoscale, 9, 2017
1D6R
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BU of 1d6r by Molmil
CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY
Descriptor: BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN
Authors:Koepke, J, Ermler, U, Wenzl, G, Flecker, P.
Deposit date:1999-10-15
Release date:2000-05-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity.
J.Mol.Biol., 298, 2000
1CJD
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BU of 1cjd by Molmil
THE BACTERIOPHAGE PRD1 COAT PROTEIN, P3, IS STRUCTURALLY SIMILAR TO HUMAN ADENOVIRUS HEXON
Descriptor: PROTEIN (MAJOR CAPSID PROTEIN (P3))
Authors:Benson, S.D, Bamford, J.K.H, Bamford, D.H, Burnett, R.M.
Deposit date:1999-04-12
Release date:1999-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Viral evolution revealed by bacteriophage PRD1 and human adenovirus coat protein structures.
Cell(Cambridge,Mass.), 98, 1999
1ZW8
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BU of 1zw8 by Molmil
Solution structure of a ZAP1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae
Descriptor: ZINC ION, Zinc-responsive transcriptional regulator ZAP1
Authors:Wang, Z, Feng, L.S, Venkataraman, K, Matskevich, V.A, Parasuram, P, Laity, J.H.
Deposit date:2005-06-03
Release date:2006-01-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a Zap1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae.
J.Mol.Biol., 357, 2006
5TFT
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BU of 5tft by Molmil
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
Descriptor: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2016-09-26
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
2DKS
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BU of 2dks by Molmil
Solution structure of the first IG-like domain of human carcinoembryonic antigen related cell adhesion molecule 8
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 8
Authors:Nagashima, K, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-14
Release date:2007-05-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first IG-like domain of human carcinoembryonic antigen related cell adhesion molecule 8
To be Published
5R9L
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BU of 5r9l by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14274a in complex with MAP kinase p38-alpha
Descriptor: (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol, CHLORIDE ION, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5RA3
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BU of 5ra3 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N10836b in complex with MAP kinase p38-alpha
Descriptor: (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8M
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BU of 5r8m by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R94
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BU of 5r94 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL081 in complex with MAP kinase p38-alpha
Descriptor: 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile, ACETATE ION, CHLORIDE ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9H
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BU of 5r9h by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ658 in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9Y
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BU of 5r9y by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha
Descriptor: 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R89
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BU of 5r89 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z217038356 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8N
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BU of 5r8n by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57292400 in complex with INTERLEUKIN-1 BETA
Descriptor: 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R95
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BU of 5r95 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha
Descriptor: 1,2-ETHANEDIOL, 1-(4-aminophenyl)pyrrole-2,5-dione, CHLORIDE ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9G
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BU of 5r9g by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha
Descriptor: (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9X
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BU of 5r9x by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13611a in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020

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