1MDU
 
 | | Crystal structure of the chicken actin trimer complexed with human gelsolin segment 1 (GS-1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Dawson, J.F, Sablin, E.P, Spudich, J.A, Fletterick, R.J. | | Deposit date: | 2002-08-07 | | Release date: | 2003-01-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of an F-actin trimer disrupted by gelsolin and implications for the mechanism of severing
J.Biol.Chem., 278, 2003
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1W4J
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | | Descriptor: | PYRUVATE DEHYDROGENASE E2 | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family.
J. Mol. Biol., 353, 2005
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1W7E
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1W4Y
 | | Ferrous horseradish peroxidase C1A in complex with carbon monoxide | | Descriptor: | CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... | | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | | Deposit date: | 2004-08-03 | | Release date: | 2005-01-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide
Biochemistry, 44, 2005
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1W9C
 | | Proteolytic fragment of CRM1 spanning six C-terminal HEAT repeats | | Descriptor: | CRM1 PROTEIN | | Authors: | Petosa, C, Schoehn, G, Askjaer, P, Bauer, U, Moulin, M, Steuerwald, U, Soler-Lopez, M, Baudin, F, Mattaj, I.W, Muller, C.W. | | Deposit date: | 2004-10-08 | | Release date: | 2004-12-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Architecture of Crm1-Exportin 1 Suggests How Cooperativity is Achieved During Formation of a Nuclear Export Complex
Mol.Cell, 16, 2004
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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1MHJ
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6ZGV
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5K2A
 | | 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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1VKT
 | | HUMAN INSULIN TWO DISULFIDE MODEL, NMR, 10 STRUCTURES | | Descriptor: | INSULIN | | Authors: | Hua, Q.X, Hu, S.Q, Frank, B.H, Jia, W.H, Chu, Y.C, Wang, S.H, Burke, G.T, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 1996-10-14 | | Release date: | 1997-04-01 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue.
J.Mol.Biol., 264, 1996
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1MB0
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 8.0 IN COMPLEX WITH MN2+ | | Descriptor: | MANGANESE (II) ION, cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-08-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and Biochemical Studies of DivK Reveal Novel Features of
an Essential Response Regulator in Caulobacter crescentus.
J.Biol.Chem., 277, 2002
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1MDW
 | | Crystal Structure of Calcium-Bound Protease Core of Calpain II Reveals the Basis for Intrinsic Inactivation | | Descriptor: | CALCIUM ION, Calpain II, catalytic subunit | | Authors: | Moldoveanu, T, Hosfield, C.M, Lim, D, Jia, Z, Davies, P.L. | | Deposit date: | 2002-08-07 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Calpain silencing by a reversible intrinsic mechanism.
Nat.Struct.Biol., 10, 2003
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6Z3Z
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4FEG
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1VPC
 | | C-TERMINAL DOMAIN (52-96) OF THE HIV-1 REGULATORY PROTEIN VPR, NMR, 1 STRUCTURE | | Descriptor: | VPR PROTEIN | | Authors: | Schueler, W, De Rocquigny, H, Baudat, Y, Sire, J, Roques, B.P. | | Deposit date: | 1998-02-20 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the (52-96) C-terminal domain of the HIV-1 regulatory protein Vpr: molecular insights into its biological functions.
J.Mol.Biol., 285, 1999
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1W7D
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5KCJ
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE6901 | | Descriptor: | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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1VP9
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1VP3
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6ZJH
 | | Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose | | Descriptor: | GLYCEROL, Trehalose phosphorylase/synthase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-06-29 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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2Y46
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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4FGW
 | | Structure of Glycerol-3-Phosphate Dehydrogenase, GPD1, from Sacharomyces Cerevisiae | | Descriptor: | Glycerol-3-phosphate dehydrogenase [NAD(+)] 1 | | Authors: | Aparicio, D, Munmun, N, Carpena, X, Fita, I, Loewen, P. | | Deposit date: | 2012-06-05 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of glycerol-3-phosphate dehydrogenase (GPD1) from Saccharomyces cerevisiae at 2.45A resolution
Acta Crystallogr.,Sect.F, 68, 2012
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1W6L
 | | 3D structure of CotA incubated with CuCl2 | | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Bento, I, Martins, L.O, Lopes, G.G, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2004-08-19 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dioxygen Reduction by Multi-Copper Oxidases; a Structural Perspective.
Dalton Trans., 7, 2005
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4FO7
 | | Pseudomonas aeruginosa MetAP, in Mn form | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2012-06-20 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Methionine excision captured by the structures of a
methionine aminopeptidase
To be published
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6ZJ7
 | | Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg | | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, THIOCYANATE ION, ... | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-06-28 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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