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4F6W
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BU of 4f6w by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 1 (N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide)
Descriptor: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
Deposit date:2012-05-15
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F7L
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BU of 4f7l by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 2 (tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate)
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
Authors:Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
Deposit date:2012-05-16
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F70
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BU of 4f70 by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea)
Descriptor: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea, Cyclin-C, ...
Authors:Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
Deposit date:2012-05-15
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
1LQB
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BU of 1lqb by Molmil
Crystal structure of a hydroxylated HIF-1 alpha peptide bound to the pVHL/elongin-C/elongin-B complex
Descriptor: Elongin B, Elongin C, Hypoxia-inducible factor 1 ALPHA, ...
Authors:Hon, W.C, Wilson, M.I, Harlos, K, Claridge, T.D, Schofield, C.J, Pugh, C.W, Maxwell, P.H, Ratcliffe, P.J, Stuart, D.I, Jones, E.Y.
Deposit date:2002-05-09
Release date:2002-07-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the recognition of hydroxyproline in HIF-1 alpha by pVHL.
Nature, 417, 2002
4F7N
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BU of 4f7n by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea)
Descriptor: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ...
Authors:Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
Deposit date:2012-05-16
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Z7L
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BU of 2z7l by Molmil
Unphosphorylated Mitogen Activated Protein Kinase ERK2 in Complex with (4-{[5-Carbamoyl-4-(3-Methylanilino)Pyrimidin 2-Yl]Amino}Phenyl)Acetic Acid
Descriptor: BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Katayama, N, Kurihara, H.
Deposit date:2007-08-27
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors
Proteins, 73, 2008
4F6S
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BU of 4f6s by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea)
Descriptor: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ...
Authors:Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
Deposit date:2012-05-15
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
1PE0
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BU of 1pe0 by Molmil
Crystal structure of the K130R mutant of human DJ-1
Descriptor: DJ-1
Authors:Tao, X, Tong, L.
Deposit date:2003-05-20
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human DJ-1, a Protein Associated with Early Onset Parkinson's Disease.
J.Biol.Chem., 278, 2003
3TRX
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BU of 3trx by Molmil
HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF REDUCED RECOMBINANT HUMAN THIOREDOXIN IN SOLUTION
Descriptor: THIOREDOXIN
Authors:Forman-Kay, J.D, Clore, G.M, Gronenborn, A.M.
Deposit date:1990-12-17
Release date:1992-01-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution three-dimensional structure of reduced recombinant human thioredoxin in solution.
Biochemistry, 30, 1991
2RK4
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BU of 2rk4 by Molmil
Structure of M26I DJ-1
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-16
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
8OXP
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BU of 8oxp by Molmil
ATM(Q2971A) in complex with Mg AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXQ
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BU of 8oxq by Molmil
ATM(Q2971A) dimeric C-terminal region in complex with Mg AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXM
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BU of 8oxm by Molmil
ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide
Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXO
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BU of 8oxo by Molmil
ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide
Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
1TBC
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BU of 1tbc by Molmil
HIV-1 TAT, NMR, 10 STRUCTURES
Descriptor: TAT PROTEIN
Authors:Roesch, P, Boehm, M, Sticht, H.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of HIV-1 Tat Protein
To be Published
6WGE
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BU of 6wge by Molmil
Cryo-EM structure of human Cohesin-NIPBL-DNA complex without STAG1
Descriptor: DNA (43-MER), Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, ...
Authors:Shi, Z.B, Gao, H, Bai, X.C, Yu, H.
Deposit date:2020-04-05
Release date:2020-05-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of the human cohesin-NIPBL-DNA complex.
Science, 368, 2020
7T17
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BU of 7t17 by Molmil
Zika Virus asymmetric unit bound with IgM antibody DH1017 Fab fragment
Descriptor: Core protein, DH1017.IgM FabC constant domain, DH1017.IgM IgH, ...
Authors:Miller, A.S, Kuhn, R.J.
Deposit date:2021-12-01
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.26 Å)
Cite:A Zika virus-specific IgM elicited in pregnancy exhibits ultrapotent neutralization.
Cell, 185, 2022
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rogala, K.B, Sabatini, D.M.
Deposit date:2019-08-29
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
1U6G
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BU of 1u6g by Molmil
Crystal Structure of The Cand1-Cul1-Roc1 Complex
Descriptor: Cullin homolog 1, RING-box protein 1, TIP120 protein, ...
Authors:Goldenberg, S.J, Shumway, S.D, Cascio, T.C, Garbutt, K.C, Liu, J, Xiong, Y, Zheng, N.
Deposit date:2004-07-29
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Cand1-Cul1-Roc1 complex reveals regulatory mechanisms for the assembly of the multisubunit cullin-dependent ubiquitin ligases
Cell(Cambridge,Mass.), 119, 2004
5W73
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BU of 5w73 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835)
Descriptor: 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.
Deposit date:2017-06-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
6UFX
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BU of 6ufx by Molmil
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W, Zhao, B.
Deposit date:2019-09-25
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
5WEB
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BU of 5web by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10e (SRI-30024)
Descriptor: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-08
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017

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