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6M7B
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BU of 6m7b by Molmil
Structure of REV7-R124A complexed with SHLD3(37-73)
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3
Authors:Ma, Y.Z, Li, Y, Wu, B.X, Huang, H.D.
Deposit date:2020-03-18
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of REV7-R124A complexed with SHLD3(37-73)
To Be Published
8HMX
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BU of 8hmx by Molmil
WDR5 in complex with histone H3Q5his peptide
Descriptor: WD repeat-containing protein 5, histone H3Q5his peptide
Authors:Li, H.T, Zhao, S, Wang, H.F.
Deposit date:2022-12-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:WDR5 in complex with histone H3Q5his peptide
To Be Published
4HGA
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BU of 4hga by Molmil
Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Liu, C.P, Xiong, C.Y, Wang, M.Z, Yu, Z.L, Yang, N, Chen, P, Zhang, Z.G, Li, G.H, Xu, R.M.
Deposit date:2012-10-07
Release date:2012-11-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX.
Nat.Struct.Mol.Biol., 19, 2012
1BH8
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BU of 1bh8 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE
Descriptor: TAFII18, TAFII28
Authors:Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
Deposit date:1998-06-16
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
6ANL
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BU of 6anl by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: Mitogen-activated protein kinase 14, TAK-715
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-08-14
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
1BH9
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BU of 1bh9 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS
Descriptor: PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28
Authors:Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
Deposit date:1998-06-16
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
3HVC
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BU of 3hvc by Molmil
Crystal structure of human p38alpha MAP kinase
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14
Authors:Perry, J.J, Tainer, J.A.
Deposit date:2009-06-15
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009
3IW6
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BU of 3iw6 by Molmil
Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol
Descriptor: Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
7EV8
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BU of 7ev8 by Molmil
Structure of Human Parainfluenza Virus 3 Unassembled Nucleoprotein in Complex with its viral chaperone
Descriptor: Nucleoprotein, Phosphoprotein
Authors:Dong, X.F, Chen, Z.
Deposit date:2021-05-20
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.234 Å)
Cite:Structural Basis of Human Parainfluenza Virus 3 Unassembled Nucleoprotein in Complex with Its Viral Chaperone.
J.Virol., 96, 2022
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
4H9Q
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BU of 4h9q by Molmil
Complex structure 4 of DAXX(E225A)/H3.3(sub5)/H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
Deposit date:2012-09-24
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
3ITZ
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BU of 3itz by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor
Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3IW8
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BU of 3iw8 by Molmil
Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
Descriptor: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
4H9R
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BU of 4h9r by Molmil
Complex structure 5 of DAXX(E225A)/H3.3(sub5,G90A)/H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
Deposit date:2012-09-24
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
4H9O
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BU of 4h9o by Molmil
Complex structure 2 of DAXX/H3.3(sub5,G90M)/H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
Deposit date:2012-09-24
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
3IW7
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BU of 3iw7 by Molmil
Human p38 MAP Kinase in Complex with an Imidazo-pyridine
Descriptor: 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
8VCI
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BU of 8vci by Molmil
SARS-CoV-2 Frameshift Stimulatory Element with Upstream Multibranch Loop
Descriptor: Frameshift Stimulatory Element with Upstream Multi-branch Loop
Authors:Peterson, J.M, Becker, S.T, O'Leary, C.A, Juneja, P, Yang, Y, Moss, W.N.
Deposit date:2023-12-14
Release date:2024-01-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop.
Biochemistry, 63, 2024
6NIF
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BU of 6nif by Molmil
crystal structure of human REV7-RAN complex
Descriptor: hREV7, GTP-binding nuclear protein Ran, hREV3 fusion
Authors:Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
Deposit date:2018-12-27
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
6NPY
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BU of 6npy by Molmil
Cryo-EM structure of NLRP3 bound to NEK7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3, ...
Authors:Sharif, H, Wang, L, Wang, W.L, Wu, H.
Deposit date:2019-01-18
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural mechanism for NEK7-licensed activation of NLRP3 inflammasome.
Nature, 570, 2019
8T1C
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BU of 8t1c by Molmil
Cryo-EM structure of human TRPV4 ankyrin repeat domain in complex with GTPase RhoA
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4-Enhanced green fluorescent protein chimera
Authors:Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
6GU6
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BU of 6gu6 by Molmil
CDK1/Cks2 in complex with Dinaciclib
Descriptor: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
6G16
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BU of 6g16 by Molmil
Structure of the human RBBP4:MTA1(464-546) complex showing loop exchange
Descriptor: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
Authors:Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R.
Deposit date:2018-03-20
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
7QAZ
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BU of 7qaz by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 - Primer Initiation Complex
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, COBALT (II) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2021-11-17
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
6GU4
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BU of 6gu4 by Molmil
CDK1/CyclinB/Cks2 in complex with CGP74514A
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019

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数据于2024-09-04公开中

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