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5QSJ
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BU of 5qsj by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394
Descriptor: 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
4D18
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BU of 4d18 by Molmil
Crystal structure of the COP9 signalosome
Descriptor: COP9 SIGNALOSOME COMPLEX SUBUNIT 1, COP9 SIGNALOSOME COMPLEX SUBUNIT 2, COP9 SIGNALOSOME COMPLEX SUBUNIT 3, ...
Authors:Bunker, R.D, Lingaraju, G.M, Thoma, N.H.
Deposit date:2014-05-01
Release date:2014-07-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.08 Å)
Cite:Crystal Structure of the Human Cop9 Signalosome
Nature, 512, 2014
4K95
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BU of 4k95 by Molmil
Crystal Structure of Parkin
Descriptor: E3 ubiquitin-protein ligase parkin, ZINC ION
Authors:Seirafi, M, Menade, M, Sauve, V, Kozlov, G, Trempe, J.-F, Nagar, B, Gehring, K.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.499 Å)
Cite:Structure of parkin reveals mechanisms for ubiquitin ligase activation.
Science, 340, 2013
4KRC
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BU of 4krc by Molmil
Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex
Descriptor: Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ...
Authors:Quiocho, F.A, Zheng, F.
Deposit date:2013-05-16
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
5R4O
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BU of 5r4o by Molmil
PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-25
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
6GHB
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BU of 6ghb by Molmil
Crystal structure of Spx in complex with YjbH (oxidized)
Descriptor: MAGNESIUM ION, Regulatory protein Spx, UPF0413 protein GK0824
Authors:Awad, W, Logan, D.T, von Wachenfeldt, C.
Deposit date:2018-05-06
Release date:2019-04-24
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
2HRV
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BU of 2hrv by Molmil
2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2
Descriptor: 2A CYSTEINE PROTEINASE, ZINC ION
Authors:Petersen, J.F.W, Cherney, M.M, Liebig, H.-D, Skern, T, Kuechler, E, James, M.N.G.
Deposit date:1999-04-29
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of the 2A proteinase from a common cold virus: a proteinase responsible for the shut-off of host-cell protein synthesis.
EMBO J., 18, 1999
5IRC
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BU of 5irc by Molmil
p190A GAP domain complex with RhoA
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Derewenda, U, Derewenda, Z.
Deposit date:2016-03-12
Release date:2016-08-17
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS.
J.Biol.Chem., 291, 2016
5OM0
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BU of 5om0 by Molmil
CH2 chimera of human 14-3-3 sigma with the Gli1 phosphopeptide around Ser640
Descriptor: 14-3-3 protein sigma,Zinc finger protein GLI1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION
Authors:Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
Deposit date:2017-07-28
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
4BKS
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BU of 4bks by Molmil
von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Descriptor: (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
Authors:Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A.
Deposit date:2013-04-29
Release date:2013-11-27
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?
Acs Med.Chem.Lett., 5, 2014
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
1AYZ
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BU of 1ayz by Molmil
CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE UBIQUITIN-CONJUGATING ENZYME RAD6 (UBC2) AT 2.6A RESOLUTION
Descriptor: UBIQUITIN-CONJUGATING ENZYME RAD6
Authors:Worthylake, D.K, Prakash, S, Prakash, L, Hill, C.P.
Deposit date:1997-11-12
Release date:1998-08-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae ubiquitin-conjugating enzyme Rad6 at 2.6 A resolution.
J.Biol.Chem., 273, 1998
2PUU
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BU of 2puu by Molmil
Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
Descriptor: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
Authors:Qian, K.C.
Deposit date:2007-05-09
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
1CYN
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BU of 1cyn by Molmil
CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-05-22
Release date:1996-01-29
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-Ray Structure of a Cyclophilin B/Cyclosporin Complex: Comparison with Cyclophilin a and Delineation of its Calcineurin-Binding Domain.
Proc.Natl.Acad.Sci.USA, 91, 1994
5R4J
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BU of 5r4j by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, DIMETHYL SULFOXIDE, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4M
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BU of 5r4m by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4K
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BU of 5r4k by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000292a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4I
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BU of 5r4i by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000443a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide, DIMETHYL SULFOXIDE, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:PanDDA analysis group deposition
To Be Published
2OZA
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BU of 2oza by Molmil
Structure of p38alpha complex
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
Deposit date:2007-02-25
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
7VO0
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BU of 7vo0 by Molmil
Streptomyces coelicolor zinc uptake regulator complexed with zinc and DNA (trimer of dimers)
Descriptor: DNA_NT (84-MER), DNA_T (84-MER), Putative metal uptake regulation protein, ...
Authors:Yang, X, Zheng, J.
Deposit date:2021-10-12
Release date:2022-08-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
7VO9
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BU of 7vo9 by Molmil
Streptomyces coelicolor zinc uptake regulator complexed with zinc and DNA (dimer of dimers)
Descriptor: DNA (84-MER), Putative metal uptake regulation protein, ZINC ION
Authors:Yang, X, Zheng, J.
Deposit date:2021-10-13
Release date:2022-08-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
5VIC
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BU of 5vic by Molmil
Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII
Descriptor: Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain
Authors:Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-04-14
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
4KRD
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BU of 4krd by Molmil
Crystal Structure of Pho85-Pcl10 Complex
Descriptor: Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10
Authors:Quiocho, F.A, Zheng, F.
Deposit date:2013-05-16
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
5R4L
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BU of 5r4l by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000349a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-24
Release date:2020-04-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:PanDDA analysis group deposition
To Be Published
3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010

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