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8CE6
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BU of 8ce6 by Molmil
Crystal structure of human Cd11b I domain in P212121 space group
Descriptor: CHLORIDE ION, GLYCEROL, Integrin alpha-M, ...
Authors:Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
Deposit date:2023-02-01
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Crystal structure of human Cd11b I domain in P212121 space group
To Be Published
8CE9
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BU of 8ce9 by Molmil
Crystal structure of human Cd11b I domain in C121 space group
Descriptor: 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION
Authors:Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
Deposit date:2023-02-01
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of human Cd11b I domain in C121 space group
To Be Published
9GH3
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BU of 9gh3 by Molmil
pleckstrin homology domain interacting protein with crystallization epitope mutations L1408N:R1409E
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-14
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
9GII
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BU of 9gii by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutation R913A
Descriptor: GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-19
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9GDK
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BU of 9gdk by Molmil
Jumonji domain-containing protein 1C with crystallization epitope mutations L2440Y:G2444H
Descriptor: Probable JmjC domain-containing histone demethylation protein 2C
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-05
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
2NZJ
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BU of 2nzj by Molmil
The crystal structure of REM1 in complex with GDP
Descriptor: CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-11-23
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of REM1 in complex with GDP
To be Published
9GLE
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BU of 9gle by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutations A91T:T93S
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-27
Release date:2024-09-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
8RU1
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BU of 8ru1 by Molmil
Chromatin remodeling regulator CECR2 with in crystallo disulfide bond
Descriptor: Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-01-29
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
8RU5
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BU of 8ru5 by Molmil
ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-01-30
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
2CLS
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BU of 2cls by Molmil
The crystal structure of the human RND1 GTPase in the active GTP bound state
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHO6
Authors:Pike, A.C.W, Yang, X, Colebrook, S, Gileadi, O, Sobott, F, Bray, J, Wen Hwa, L, Marsden, B, Zhao, Y, Schoch, G, Elkins, J, Debreczeni, J.E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
Deposit date:2006-04-28
Release date:2006-05-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Crystal Structure of the Human Rnd1 Gtpase in the Active GTP Bound State
To be Published
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
Descriptor: Cilia- and flagella-associated protein 299, ZINC ION
Authors:Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:cilia and flagella associated protein 299
To Be Published
8QUD
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BU of 8qud by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5
Descriptor: (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
8QUC
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BU of 8quc by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1
Descriptor: (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
2BEL
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BU of 2bel by Molmil
Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone
Descriptor: CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ...
Authors:Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U.
Deposit date:2004-11-25
Release date:2004-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
To be Published
2A8B
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BU of 2a8b by Molmil
Crystal Structure of the Catalytic Domain of Human Tyrosine Phosphatase Receptor, Type R
Descriptor: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase R
Authors:Ugochukwu, E, Eswaran, J, Barr, A, Longman, E, Arrowsmith, C, Edwards, A, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-07-07
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem.J., 395, 2006
2J2I
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BU of 2j2i by Molmil
Crystal Structure of the humab PIM1 in complex with LY333531
Descriptor: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
Authors:Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
Deposit date:2006-08-16
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
2BIJ
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BU of 2bij by Molmil
Crystal structure of the human protein tyrosine phosphatase PTPN5 (STEP, striatum enriched enriched Phosphatase)
Descriptor: SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, NON-RECEPTOR TYPE 5
Authors:Barr, A.J, Debreczeni, J.E, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2005-01-21
Release date:2005-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
2BV5
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BU of 2bv5 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 AT 1.8A RESOLUTION
Descriptor: GLYCEROL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ...
Authors:Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2005-06-22
Release date:2005-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
4E96
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BU of 4e96 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
Descriptor: 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC)
Deposit date:2012-03-20
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012
4HBW
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BU of 4hbw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ...
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBY
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BU of 4hby by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBV
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BU of 4hbv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBX
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BU of 4hbx by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4AI9
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BU of 4ai9 by Molmil
JMJD2A Complexed with Daminozide
Descriptor: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4AI8
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BU of 4ai8 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
Descriptor: DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012

 

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