1GW1
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![BU of 1gw1 by Molmil](/molmil-images/mine/1gw1) | Substrate distortion by beta-mannanase from Pseudomonas cellulosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... | Authors: | Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. | Deposit date: | 2002-03-01 | Release date: | 2002-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State Angew.Chem.Int.Ed.Engl., 41, 2002
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1LKA
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![BU of 1lka by Molmil](/molmil-images/mine/1lka) | Porcine Pancreatic Elastase/Ca-Complex | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | Deposit date: | 2002-04-24 | Release date: | 2002-08-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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1GZ1
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![BU of 1gz1 by Molmil](/molmil-images/mine/1gz1) | Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, SODIUM ION, ... | Authors: | Varrot, A, Frandsen, T, Driguez, H, Davies, G.J. | Deposit date: | 2002-05-13 | Release date: | 2003-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Humicola Insolens Cellobiohydrolase Cel6A D416A Mutant in Complex with a Non-Hydrolysable Substrate Analogue, Methyl Cellobiosyl-4-Thio-Beta-Cellobioside, at 1.9 A Acta Crystallogr.,Sect.D, 58, 2002
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1HHY
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![BU of 1hhy by Molmil](/molmil-images/mine/1hhy) | Deglucobalhimycin in complex with D-Ala-D-Ala | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, D-ALANINE, DEGLUCOBALHIMYCIN, ... | Authors: | Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L. | Deposit date: | 2000-12-29 | Release date: | 2003-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors J.Mol.Biol., 318, 2002
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1KCC
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![BU of 1kcc by Molmil](/molmil-images/mine/1kcc) | Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | Deposit date: | 2001-11-08 | Release date: | 2002-06-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
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1HYA
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1JMO
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![BU of 1jmo by Molmil](/molmil-images/mine/1jmo) | Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A. | Deposit date: | 2001-07-19 | Release date: | 2002-08-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism. Proc.Natl.Acad.Sci.USA, 99, 2002
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1MMY
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![BU of 1mmy by Molmil](/molmil-images/mine/1mmy) | Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-quinovose | Descriptor: | Aldose 1-epimerase, SODIUM ION, alpha-D-quinovopyranose | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | Deposit date: | 2002-09-04 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
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1LZS
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1S5M
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![BU of 1s5m by Molmil](/molmil-images/mine/1s5m) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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1U4J
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![BU of 1u4j by Molmil](/molmil-images/mine/1u4j) | Crystal structure of a carbohydrate induced dimer of group I phospholipase A2 from Bungarus caeruleus at 2.1 A resolution | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | Authors: | Singh, G, Gourinath, S, Sharma, S, Bhanumathi, S, Betzel, C, Srinivasan, A, Singh, T.P. | Deposit date: | 2004-07-26 | Release date: | 2004-08-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal structure of a carbohydrate induced homodimer of phospholipase A(2) from Bungarus caeruleus at 2.1A resolution J.Struct.Biol., 149, 2005
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1S5E
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![BU of 1s5e by Molmil](/molmil-images/mine/1s5e) | Cholera holotoxin, Crystal form 1 | Descriptor: | Cholera enterotoxin, A chain precursor, SODIUM ION, ... | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | Deposit date: | 2004-01-20 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism Biochemistry, 43, 2004
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1S5N
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![BU of 1s5n by Molmil](/molmil-images/mine/1s5n) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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1S5F
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![BU of 1s5f by Molmil](/molmil-images/mine/1s5f) | Cholera holotoxin, Crystal form 2 | Descriptor: | Cholera enterotoxin, A chain, SODIUM ION, ... | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | Deposit date: | 2004-01-20 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism Biochemistry, 43, 2004
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1S5D
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![BU of 1s5d by Molmil](/molmil-images/mine/1s5d) | Cholera holotoxin with an A-subunit Y30S mutation, Crystal form 2 | Descriptor: | Cholera enterotoxin, A chain, GLYCEROL, ... | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | Deposit date: | 2004-01-20 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of an intrinsically active cholera toxin
mutant yield insight into the toxin activation mechanism Biochemistry, 43, 2004
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1TG7
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![BU of 1tg7 by Molmil](/molmil-images/mine/1tg7) | Native structure of beta-galactosidase from Penicillium sp. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rojas, A.L, Nagem, R.A.P, Neustroev, K.N, Arand, M, Adamska, M, Eneyskaya, E.V, Kulminskaya, A.A, Garratt, R.C, Golubev, A.M, Polikarpov, I. | Deposit date: | 2004-05-28 | Release date: | 2004-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of beta-Galactosidase from Penicillium sp. and its Complex with Galactose J.Mol.Biol., 343, 2004
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1UY0
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![BU of 1uy0 by Molmil](/molmil-images/mine/1uy0) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with glc-1,3-glc-1,4-glc-1,3-glc | Descriptor: | CALCIUM ION, CELLULASE B, CHLORIDE ION, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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1RIW
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![BU of 1riw by Molmil](/molmil-images/mine/1riw) | Thrombin in complex with natural product inhibitor Oscillarin | Descriptor: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | Authors: | Hanessian, S, Tremblay, M, Petersen, J.F.W. | Deposit date: | 2003-11-18 | Release date: | 2004-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin J.Am.Chem.Soc., 126, 2004
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1RWC
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![BU of 1rwc by Molmil](/molmil-images/mine/1rwc) | Crystal structure of Arthrobacter aurescens chondroitin AC lyase | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | Deposit date: | 2003-12-16 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism J.Mol.Biol., 337, 2004
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1V4S
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![BU of 1v4s by Molmil](/molmil-images/mine/1v4s) | Crystal structure of human glucokinase | Descriptor: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, SODIUM ION, alpha-D-glucopyranose, ... | Authors: | Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y. | Deposit date: | 2003-11-19 | Release date: | 2004-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase Structure, 12, 2004
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1UMA
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![BU of 1uma by Molmil](/molmil-images/mine/1uma) | ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ... | Authors: | Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M. | Deposit date: | 1996-03-26 | Release date: | 1996-11-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. J.Mol.Biol., 258, 1996
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1UYZ
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![BU of 1uyz by Molmil](/molmil-images/mine/1uyz) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with xylotetraose | Descriptor: | CALCIUM ION, CELLULASE B, GLYCEROL, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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1RWH
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![BU of 1rwh by Molmil](/molmil-images/mine/1rwh) | Crystal structure of Arthrobacter aurescens chondroitin AC lyase in complex with chondroitin tetrasaccharide | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-2,6-anhydro-3-deoxy-L-xylo-hexonic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, GLYCEROL, PHOSPHATE ION, ... | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | Deposit date: | 2003-12-16 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism J.Mol.Biol., 337, 2004
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1UY4
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1UY3
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![BU of 1uy3 by Molmil](/molmil-images/mine/1uy3) | |