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8WYP
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BU of 8wyp by Molmil
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
Descriptor: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
Authors:Liu, B, Ma, X.
Deposit date:2023-10-31
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024
3ZYU
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BU of 3zyu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A)
Descriptor: 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C.W, Mirguet, O.
Deposit date:2011-08-25
Release date:2011-11-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia.
Nature, 478, 2011
6C83
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BU of 6c83 by Molmil
Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP
Descriptor: Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D.
Deposit date:2018-01-24
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
3ZMZ
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BU of 3zmz by Molmil
LSD1-CoREST in complex with PRSFAV peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ...
Authors:Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A.
Deposit date:2013-02-13
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
8V7L
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BU of 8v7l by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-12-04
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
8UI7
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BU of 8ui7 by Molmil
Cryo-EM map of human clmap-clamp loader ATAD5-RFC-gapped PCNA complex in intermediate state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UI9
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BU of 8ui9 by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-cracked PCNA complex in intermediate state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UII
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BU of 8uii by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-closed PCNA complex in intermediate state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UMU
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BU of 8umu by Molmil
Atomic model of the human CTF18-RFC-PCNA binary complex in the four-subunit binding state (state 3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
3ULE
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BU of 3ule by Molmil
Structure of Bos taurus Arp2/3 complex with bound inhibitor CK-869 and ATP
Descriptor: (2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, ...
Authors:Nolen, B.J, Han, M.
Deposit date:2011-11-10
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Bos taurus Arp2/3 complex with bound inhibitor CK-869 and ATP
To be Published
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
3UNZ
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BU of 3unz by Molmil
Aurora A in Complex with RPM1679
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
8UI8
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BU of 8ui8 by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-two PCNAs complex in intermediate state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UMW
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BU of 8umw by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex in the five-subunit binding state (state 4)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
3UOB
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BU of 3uob by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-deoxy-2'-beta-fluoro-cytidine
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1FC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase
Authors:Zhang, L, He, C.
Deposit date:2011-11-16
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
3UOH
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BU of 3uoh by Molmil
Aurora A in complex with RPM1722
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8002 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOK
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BU of 3uok by Molmil
Aurora A in complex with YL5-81-1
Descriptor: 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9506 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
8X3S
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BU of 8x3s by Molmil
Crystal structure of human WDR5 in complex with PTEN
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5
Authors:Liu, Y, Huang, X, Shang, X.
Deposit date:2023-11-14
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
3US5
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BU of 3us5 by Molmil
Crystal structure of a RNA-binding domain of a poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.38 A resolution
Descriptor: CHLORIDE ION, Poly(U)-binding-splicing factor PUF60
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2011-11-23
Release date:2012-01-11
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of a RNA-binding domain of a poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.38 A resolution
To be published
8WXR
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BU of 8wxr by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C F47A
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
3UOL
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BU of 3uol by Molmil
Aurora A in complex with SO2-162
Descriptor: 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
8WXU
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BU of 8wxu by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C C44S/R45E/V46G
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
6CJ2
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BU of 6cj2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056
Descriptor: 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Xu, X, Blacklow, S.C.
Deposit date:2018-02-26
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
Acs Chem.Biol., 13, 2018
8WXV
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BU of 8wxv by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B
Descriptor: SET1B, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXT
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BU of 8wxt by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C R45E/V46G
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024

223790

數據於2024-08-14公開中

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