2XFD
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![BU of 2xfd by Molmil](/molmil-images/mine/2xfd) | vCBM60 in complex with cellobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, GLYCEROL, ... | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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1OFN
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![BU of 1ofn by Molmil](/molmil-images/mine/1ofn) | Purification, crystallisation and preliminary structural studies of dTDP-4-keto-6-deoxy-glucose-5-epimerase (EvaD) from Amycolatopsis orientalis; the fourth enzyme in the dTDP-L-epivancosamine biosynthetic pathway. | Descriptor: | GLYCEROL, PCZA361.16 | Authors: | Merkel, A.B, Naismith, J.H. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Purification, Crystallization and Preliminary Structural Studies of Dtdp-4-Keto-6-Deoxy-Glucose-5-Epimerase (Evad) from Amycolatopsis Orientalis, the Fourth Enzyme in the Dtdp-L-Epivancosamine Biosynthetic Pathway. Acta Crystallogr.,Sect.D, 58, 2002
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2H70
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![BU of 2h70 by Molmil](/molmil-images/mine/2h70) | Crystal Structure of Thioredoxin Mutant D9E in Hexagonal (p61) Space Group | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2006-06-01 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization. Biophys.J., 89, 2005
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1S1Y
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![BU of 1s1y by Molmil](/molmil-images/mine/1s1y) | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 microseconds to 3 milliseconds | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein Structure, 12, 2004
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3QH4
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3QA2
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![BU of 3qa2 by Molmil](/molmil-images/mine/3qa2) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-10 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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1S1Z
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![BU of 1s1z by Molmil](/molmil-images/mine/1s1z) | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 to 500 nanoseconds | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive Yellow Protein | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein Structure, 12, 2004
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2XOI
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![BU of 2xoi by Molmil](/molmil-images/mine/2xoi) | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A. FEBS J., 278, 2011
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4NJ9
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![BU of 4nj9 by Molmil](/molmil-images/mine/4nj9) | Crystal structure of Fab 8B10 in complex with MPTS | Descriptor: | 8-methoxypyrene-1,3,6-trisulfonic acid, 8B10 heavy chain, 8B10 light chain, ... | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | Deposit date: | 2013-11-08 | Release date: | 2014-11-12 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation. Biochemistry, 54, 2015
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2XOG
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![BU of 2xog by Molmil](/molmil-images/mine/2xog) | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | Deposit date: | 2010-08-16 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A. FEBS J., 278, 2011
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2X7U
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![BU of 2x7u by Molmil](/molmil-images/mine/2x7u) | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
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2NW6
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![BU of 2nw6 by Molmil](/molmil-images/mine/2nw6) | Burkholderia cepacia lipase complexed with S-inhibitor | Descriptor: | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ... | Authors: | Luic, M, Stefanic, Z. | Deposit date: | 2006-11-14 | Release date: | 2007-12-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification J.Phys.Chem.B, 112, 2008
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2H6Z
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![BU of 2h6z by Molmil](/molmil-images/mine/2h6z) | Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2006-06-01 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization. Biophys.J., 89, 2005
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4PY3
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1YMO
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![BU of 1ymo by Molmil](/molmil-images/mine/1ymo) | |
1XN1
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![BU of 1xn1 by Molmil](/molmil-images/mine/1xn1) | Crystal Structure Of Lumazine Synthase From Brucella Abortus (Orthorhombic Form At 3.05 Angstroms) | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION, SODIUM ION, ... | Authors: | Klinke, S, Zylberman, V, Vega, D.R, Guimaraes, B.G, Braden, B.C, Goldbaum, F.A. | Deposit date: | 2004-10-04 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystallographic studies on Decameric Brucella spp. Lumazine Synthase: A Novel Quaternary Arrangement Evolved for a New Function? J.Mol.Biol., 353, 2005
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5TIL
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4N67
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5TJE
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![BU of 5tje by Molmil](/molmil-images/mine/5tje) | Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14 | Descriptor: | ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ... | Authors: | Achour, A, Sandalova, T, Allerbring, E, Popov, A. | Deposit date: | 2016-10-04 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant to be published
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4QNB
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3BEL
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![BU of 3bel by Molmil](/molmil-images/mine/3bel) | X-ray structure of EGFR in complex with oxime inhibitor | Descriptor: | 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION | Authors: | Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J. | Deposit date: | 2007-11-19 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases. Bioorg.Med.Chem.Lett., 18, 2008
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1TQ0
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![BU of 1tq0 by Molmil](/molmil-images/mine/1tq0) | Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form | Descriptor: | Prothrombin | Authors: | Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E. | Deposit date: | 2004-06-16 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket J.Biol.Chem., 279, 2004
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1TUM
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![BU of 1tum by Molmil](/molmil-images/mine/1tum) | MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX, NMR, 16 STRUCTURES | Descriptor: | COBALT TETRAAMMINE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lin, J, Abeygunawardana, C, Frick, D.N, Bessman, M.J, Mildvan, A.S. | Deposit date: | 1996-12-05 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the quaternary MutT-M2+-AMPCPP-M2+ complex and mechanism of its pyrophosphohydrolase action. Biochemistry, 36, 1997
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3A5E
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![BU of 3a5e by Molmil](/molmil-images/mine/3a5e) | Crystal structure of 5K RNase Sa | Descriptor: | Guanyl-specific ribonuclease Sa | Authors: | Takano, K. | Deposit date: | 2009-08-06 | Release date: | 2010-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Urea denatured state ensembles contain extensive secondary structure that is increased in hydrophobic proteins Protein Sci., 19, 2010
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2L4V
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![BU of 2l4v by Molmil](/molmil-images/mine/2l4v) | |