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1J4I
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BU of 1j4i by Molmil
crystal structure analysis of the FKBP12 complexed with 000308 small molecule
Descriptor: 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
6TPA
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BU of 6tpa by Molmil
CDK8/CyclinC in complex with drug ETP-50775
Descriptor: (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ...
Authors:Munoz, I.G, Pastor, J, Martinez, S.
Deposit date:2019-12-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.
Eur.J.Med.Chem., 201, 2020
4ZF7
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BU of 4zf7 by Molmil
Crystal structure of ferret interleukin-2
Descriptor: DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ...
Authors:Ren, B, Newman, J, McKinstry, W.J, Adams, T.E.
Deposit date:2015-04-21
Release date:2015-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural and functional characterisation of ferret interleukin-2.
Dev.Comp.Immunol., 55, 2015
6O3Y
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BU of 6o3y by Molmil
Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM3
Descriptor: CHLORIDE ION, Helicase SEN1, Protein NRD1
Authors:Zhang, Y, Tong, L.
Deposit date:2019-02-27
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1.
Structure, 27, 2019
7ZNT
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BU of 7znt by Molmil
CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB
Descriptor: (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
Authors:Hughes, S.J, Casement, R, Ciulli, A.
Deposit date:2022-04-22
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders.
Nat.Chem.Biol., 19, 2023
6O3X
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BU of 6o3x by Molmil
Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM2
Descriptor: CHLORIDE ION, Helicase SEN1, Protein NRD1
Authors:Zhang, Y, Tong, L.
Deposit date:2019-02-27
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1.
Structure, 27, 2019
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
6O3W
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BU of 6o3w by Molmil
Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM1
Descriptor: Helicase SEN1, Protein NRD1
Authors:Zhang, Y, Tong, L.
Deposit date:2019-02-27
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1.
Structure, 27, 2019
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
6QTG
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BU of 6qtg by Molmil
Crystal structure of human CDK8/CYCC in complex with BI-1347
Descriptor: 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8
Authors:Boettcher, J.
Deposit date:2019-02-25
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
8OR3
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BU of 8or3 by Molmil
CAND1-CUL1-RBX1-SKP1-SKP2-DCNL1
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ...
Authors:Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
Deposit date:2023-04-13
Release date:2023-06-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
5LCJ
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BU of 5lcj by Molmil
In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
6QTJ
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BU of 6qtj by Molmil
Crystal structure of human CDK8/CYCC in complex with BI 919811
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
Authors:Boettcher, J.
Deposit date:2019-02-25
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Descriptor: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
Authors:Boettcher, J.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
1H6F
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BU of 1h6f by Molmil
Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a palindromic DNA site
Descriptor: 5'-D(*TP*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP* AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*T)-3', MAGNESIUM ION, T-BOX TRANSCRIPTION FACTOR TBX3
Authors:Coll, M, Muller, C.W.
Deposit date:2001-06-13
Release date:2002-04-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the DNA-Bound T-Box Domain of Human Tbx3, a Transcription Factor Responsible for Ulnar- Mammary Syndrome
Structure, 10, 2002
3UIN
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BU of 3uin by Molmil
Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2
Descriptor: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
Authors:Gareau, J.R, Reverter, D, Lima, C.D.
Deposit date:2011-11-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
5LCK
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BU of 5lck by Molmil
A Clickable Covalent ERK 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
1J4H
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BU of 1j4h by Molmil
crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Descriptor: 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
1QOI
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BU of 1qoi by Molmil
U4/U6 snRNP-specific cyclophilin SnuCyp-20
Descriptor: SNUCYP-20
Authors:Reidt, U, Reuter, K, Achsel, T, Ingelfinger, D, Luehrmann, R, Ficner, R.
Deposit date:1999-11-09
Release date:2000-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human U4/U6 Small Nuclear Ribonucleoproteinparticle-Specificsnucyp-20, a Nuclear Cyclophilin
J.Biol.Chem., 275, 2000
1QPL
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BU of 1qpl by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587
Descriptor: C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN)
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-25
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
5BNJ
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BU of 5bnj by Molmil
CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one
Descriptor: 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Musil, D, Blagg, J, Wienke, D.
Deposit date:2015-05-26
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
8I53
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BU of 8i53 by Molmil
Solution structure of the PH domain from the Tfb1 subunit of fission yeast TFIIH
Descriptor: General transcription and DNA repair factor IIH subunit tfb1
Authors:Okuda, M, Nishimura, Y.
Deposit date:2023-01-23
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural polymorphism of the PH domain in TFIIH.
Biosci.Rep., 43, 2023
7L9P
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BU of 7l9p by Molmil
Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ...
Authors:Xie, W, Patel, D.J.
Deposit date:2021-01-04
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6KTO
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BU of 6kto by Molmil
Crystal structure of human SHLD3-C-REV7-O-REV7-SHLD2 complex
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 2, Shieldin complex subunit 3
Authors:Liang, L, Yin, Y.
Deposit date:2019-08-28
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4497633 Å)
Cite:Molecular basis for assembly of the shieldin complex and its implications for NHEJ.
Nat Commun, 11, 2020
5E0V
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BU of 5e0v by Molmil
Human PCNA variant (S228I) complexed with FEN1 at 2.1 Angstroms
Descriptor: Flap endonuclease 1, Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016

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