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1UYI
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BU of 1uyi by Molmil
Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine
Descriptor: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UNG
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BU of 1ung by Molmil
Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin.
Descriptor: 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE, CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1
Authors:Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
Deposit date:2003-09-10
Release date:2004-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
1UNH
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BU of 1unh by Molmil
Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin.
Descriptor: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1
Authors:Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
Deposit date:2003-09-10
Release date:2004-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
4OHH
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BU of 4ohh by Molmil
LEOPARD Syndrome-Associated SHP2/Q506P mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
1DUS
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BU of 1dus by Molmil
MJ0882-A hypothetical protein from M. jannaschii
Descriptor: MJ0882
Authors:Hung, L, Huang, L, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2000-01-18
Release date:2000-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based experimental confirmation of biochemical function to a methyltransferase, MJ0882, from hyperthermophile Methanococcus jannaschii
J.STRUCT.FUNCT.GENOM., 2, 2002
1UYF
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BU of 1uyf by Molmil
Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine
Descriptor: 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
3QLG
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BU of 3qlg by Molmil
Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with dasatinib
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single amino-acid dictates the dynamics of the switch between active and inactive C-src conformation
To be Published
1SL8
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BU of 1sl8 by Molmil
Calcium-loaded apo-aequorin from Aequorea victoria
Descriptor: Aequorin 1, CALCIUM ION
Authors:Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-03-05
Release date:2004-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
1SL9
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BU of 1sl9 by Molmil
Obelin from Obelia longissima
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, Obelin
Authors:Deng, L, Markova, S, Vysotski, E, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-03-05
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Obelin from Obelia longissima
To be Published
1UYM
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BU of 1uym by Molmil
Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine)
Descriptor: 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-BETA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYH
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BU of 1uyh by Molmil
Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
Descriptor: 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYE
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BU of 1uye by Molmil
Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine
Descriptor: 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY9
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BU of 1uy9 by Molmil
Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine
Descriptor: 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
3QLF
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BU of 3qlf by Molmil
Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with pyrazolopyrimidine 5
Descriptor: 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single amino-acid dictates the dynamics of the switch between active and inactive C-src conformation
To be Published
1UZ2
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BU of 1uz2 by Molmil
The Cys121Ser Mutant of Beta-Lactoglobulin
Descriptor: BETA-LACTOGLOBULIN
Authors:McNae, I, Jayat, D, Haertle, T, Holt, C, Sawyer, L.
Deposit date:2004-03-03
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating.
Biochemistry, 43, 2004
1UYG
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BU of 1uyg by Molmil
Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
Descriptor: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
3GOC
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BU of 3goc by Molmil
Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196
Descriptor: 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol, CHLORIDE ION, Endonuclease V, ...
Authors:Forouhar, F, Abashidze, M, Hussain, M, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-18
Release date:2009-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196.
To be Published
1UKE
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BU of 1uke by Molmil
UMP/CMP KINASE FROM SLIME MOLD
Descriptor: MAGNESIUM ION, P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE, URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE
Authors:Scheffzek, K, Kliche, W, Wiesmueller, L, Reinstein, J.
Deposit date:1998-01-07
Release date:1998-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the complex of UMP/CMP kinase from Dictyostelium discoideum and the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-uridyl) pentaphosphate (UP5A) and Mg2+ at 2.2 A: implications for water-mediated specificity.
Biochemistry, 35, 1996
4O0S
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BU of 4o0s by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
4O0W
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BU of 4o0w by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase
To be Published
3DCP
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BU of 3dcp by Molmil
Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR141.
Descriptor: FE (III) ION, Histidinol-phosphatase, ZINC ION
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Zhao, L, Mao, L, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-04
Release date:2008-07-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes.
To be Published
1SL7
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BU of 1sl7 by Molmil
Crystal structure of calcium-loaded apo-obelin from Obelia longissima
Descriptor: CALCIUM ION, Obelin
Authors:Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-03-05
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
1SO9
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BU of 1so9 by Molmil
Solution Structure of apoCox11, 30 structures
Descriptor: Cytochrome C oxidase assembly protein ctaG
Authors:Banci, L, Bertini, I, Cantini, F, Ciofi-Baffoni, S, Gonnelli, L, Mangani, S, Structural Proteomics in Europe (SPINE)
Deposit date:2004-03-13
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Cox11, a Novel Type of {beta}-Immunoglobulin-like Fold Involved in CuB Site Formation of Cytochrome c Oxidase.
J.Biol.Chem., 279, 2004
3HI1
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BU of 3hi1 by Molmil
Structure of HIV-1 gp120 (core with V3) in Complex with CD4-Binding-Site Antibody F105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F105 Heavy Chain, F105 Light Chain, ...
Authors:Kwon, Y.D, Chen, L, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z, Zhang, M.-Y, Arthos, J, Burton, D.R, Dimitrov, D, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D.
Deposit date:2009-05-18
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120.
Science, 326, 2009
1T1N
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BU of 1t1n by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN
Descriptor: CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Mazzarella, L, Vitagliano, L, Savino, C, Zagari, A.
Deposit date:1999-03-05
Release date:1999-04-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Trematomus newnesi haemoglobin re-opens the root effect question.
J.Mol.Biol., 287, 1999

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