3U9A
 
 | | Human Thrombin In Complex With MI330 | | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-10-18 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Thrombin Inhibition
To be Published
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3U8T
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-Cys | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | Deposit date: | 2011-10-17 | | Release date: | 2012-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3RM0
 | | Human Thrombin in complex with MI354 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-04-20 | | Release date: | 2012-04-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
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3SHA
 | | Human Thrombin In Complex With UBTHR97 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-16 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3TXJ
 | | HEWL co-crystallization with NAG with silicone oil as the cryoprotectant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | | Deposit date: | 2011-09-23 | | Release date: | 2013-01-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
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3U98
 | | Human Thrombin In Complex With MI001 | | Descriptor: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-10-18 | | Release date: | 2012-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Thrombin Inhibition
To be Published
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3TRQ
 | | Crystal structure of native rabbit skeletal calsequestrin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Sanchez, E.J, Lewis, K.M, Munske, G.R, Nissen, M.S, Kang, C. | | Deposit date: | 2011-09-09 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Glycosylation of Skeletal Calsequestrin: IMPLICATIONS FOR ITS FUNCTION.
J.Biol.Chem., 287, 2012
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3UET
 | | Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis D172A/E217A mutant complexed with lacto-N-fucopentaose II | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, SODIUM ION, ... | | Authors: | Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H. | | Deposit date: | 2011-10-31 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
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3VEV
 | | Glucokinase in complex with an activator and glucose | | Descriptor: | (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-09 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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3VIL
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with salicin | | Descriptor: | 1,2-ETHANEDIOL, 2-(hydroxymethyl)phenol, 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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2VT4
 | | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL | | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ... | | Authors: | Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | | Deposit date: | 2008-05-09 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.
Nature, 454, 2008
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2VX5
 | | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOSE-BOUND FORM | | Descriptor: | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C, SODIUM ION, beta-D-mannopyranose | | Authors: | Cartmell, A, Topakas, E, Ducros, V.M.-A, Suits, M.D.L, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2008-07-01 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The Cellvibrio Japonicus Mannanase Cjman26C Displays a Unique Exo-Mode of Action that is Conferred by Subtle Changes to the Distal Region of the Active Site.
J.Biol.Chem., 283, 2008
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3VIF
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with gluconolactone | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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3EQN
 | | Crystal structure of beta-1,3-glucanase from Phanerochaete chrysosporium (Lam55A) | | Descriptor: | ACETATE ION, GLYCEROL, Glucan 1,3-beta-glucosidase, ... | | Authors: | Ishida, T, Fushinobu, S, Kawai, R, Kitaoka, M, Igarashi, K, Samejima, M. | | Deposit date: | 2008-10-01 | | Release date: | 2009-02-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of glycoside hydrolase family 55 beta -1,3-glucanase from the basidiomycete Phanerochaete chrysosporium
J.Biol.Chem., 284, 2009
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3VEY
 | | glucokinase in complex with glucose and ATPgS | | Descriptor: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-09 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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3VIN
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product | | Descriptor: | 2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid, Beta-glucosidase, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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3F3D
 | | Crystal structure of LeuT bound to L-Methionine and sodium | | Descriptor: | METHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3VIK
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with cellobiose | | Descriptor: | 1,2-ETHANEDIOL, Beta-glucosidase, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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3F3E
 | | Crystal structure of LeuT bound to L-leucine (30 mM) and sodium | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3VGL
 | | Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose and AMPPNP | | Descriptor: | Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | | Authors: | Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
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3VIJ
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with glucose | | Descriptor: | Beta-glucosidase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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3FBX
 | | Crystal structure of the lysosomal 66.3 kDa protein from mouse solved by S-SAD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Lakomek, K, Dickmanns, A, Mueller, U, Ficner, R. | | Deposit date: | 2008-11-20 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse
Acta Crystallogr.,Sect.D, 65, 2009
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3FGR
 | | Two chain form of the 66.3 kDa protein at 1.8 Angstroem | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | | Deposit date: | 2008-12-08 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
Bmc Struct.Biol., 9, 2009
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2VZQ
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3FGW
 | | One chain form of the 66.3 kDa protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... | | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | | Deposit date: | 2008-12-08 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
Bmc Struct.Biol., 9, 2009
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