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4BAN
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BU of 4ban by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAK
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BU of 4bak by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
2AHS
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BU of 2ahs by Molmil
Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ...
Authors:Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-07-28
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
4B15
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BU of 4b15 by Molmil
crystal structure of tamarind chitinase like lectin (TCLL)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Patil, D.N, Kumar, P.
Deposit date:2012-07-06
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Investigation of a Novel N-Acetyl Glucosamine Binding Chi-Lectin which Reveals Evolutionary Relationship with Class III Chitinases.
Plos One, 8, 2013
4B1M
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BU of 4b1m by Molmil
CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS
Descriptor: LEVANASE, SODIUM ION, SULFATE ION, ...
Authors:Cuskin, F, Flint, J.E, Morland, C, Basle, A, Henrissat, B, Countinho, P.M, Strazzulli, A, Solzehinkin, A, Davies, G.J, Gilbert, H.J, Gloster, T.M.
Deposit date:2012-07-11
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity
Proc.Natl.Acad.Sci.USA, 109, 2012
2EL1
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BU of 2el1 by Molmil
Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L44M)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase
Authors:Asada, Y, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-26
Release date:2007-10-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L44M)
To be Published
1UYP
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BU of 1uyp by Molmil
The three-dimensional structure of beta-fructosidase (invertase) from Thermotoga maritima
Descriptor: BETA-FRUCTOSIDASE, CITRIC ACID, GLYCEROL, ...
Authors:Alberto, F, Bignon, C, Sulzenbacher, G, Henrissat, B, Czjzek, M.
Deposit date:2004-03-02
Release date:2004-03-22
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of invertase (beta-fructosidase) from Thermotoga maritima reveals a bimodular arrangement and an evolutionary relationship between retaining and inverting glycosidases.
J. Biol. Chem., 279, 2004
1V4T
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BU of 1v4t by Molmil
Crystal structure of human glucokinase
Descriptor: SODIUM ION, SULFATE ION, glucokinase isoform 2
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 (3.4 Å)
Cite:Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
3P17
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BU of 3p17 by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2010-09-30
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
J.Mol.Biol., 418, 2012
2EJZ
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BU of 2ejz by Molmil
Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (Y11M)
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
Authors:Asada, Y, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-22
Release date:2007-09-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (Y11M)
To be Published
2EKB
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BU of 2ekb by Molmil
Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (L19M)
Descriptor: Alpha-ribazole-5'-phosphate phosphatase, SODIUM ION
Authors:Asada, Y, Taketa, M, Tanaka, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-22
Release date:2007-09-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (L19M)
To be Published
2EIC
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BU of 2eic by Molmil
Crystal Structure of Galactose Oxidase mutant W290F
Descriptor: COPPER (I) ION, Galactose oxidase, SODIUM ION
Authors:Akyumani, N, Tamber, S, Firbank, S.J, Knowles, P.F, Phillips, S.E, McPherson, M.J.
Deposit date:2007-03-12
Release date:2007-04-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
2ELE
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BU of 2ele by Molmil
Mutant V18C structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase
Authors:Shimizu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-27
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutant V18C structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
2E8H
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BU of 2e8h by Molmil
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION
Authors:Sugahara, M, Taketa, M, Tanaka, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-19
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
2EH5
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BU of 2eh5 by Molmil
Mutant L184M structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase
Authors:Shimizu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-04
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutant L184M structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
4BAO
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BU of 4bao by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
3PMA
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BU of 3pma by Molmil
2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CITRIC ACID, SODIUM ION, ...
Authors:Wright, H.T, Scarsdale, J.N, Desai, B.J.
Deposit date:2010-11-16
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interaction of thrombin with sucrose octasulfate.
Biochemistry, 50, 2011
2ANP
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BU of 2anp by Molmil
Functional Glutamate 151 to Histidine mutant of the aminopeptidase from Aeromonas Proteolytica.
Descriptor: SODIUM ION, ZINC ION, leucyl aminopeptidase
Authors:Bzymek, K.P, Moulin, A, Swierczek, S.I, Ringe, D, Petsko, G.A, Holz, R.C.
Deposit date:2005-08-11
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic, Spectroscopic, and X-ray Crystallographic Characterization of the Functional E151H Aminopeptidase from Aeromonas proteolytica.
Biochemistry, 44, 2005
3MK1
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BU of 3mk1 by Molmil
Refinement of placental alkaline phosphatase complexed with nitrophenyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ...
Authors:Stec, B, Cheltsov, A, Millan, J.L.
Deposit date:2010-04-13
Release date:2011-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Acta Crystallogr.,Sect.F, 66, 2010
1TAE
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BU of 1tae by Molmil
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Descriptor: DNA ligase, NAD-dependent, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gajiwala, K.S, Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
3MNJ
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BU of 3mnj by Molmil
Human Carbonic Anhydrase II Mutant K170E
Descriptor: Carbonic anhydrase 2, SODIUM ION, ZINC ION
Authors:Domsic, J.F, McKenna, R.
Deposit date:2010-04-21
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3MP8
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BU of 3mp8 by Molmil
Crystal structure of Sgf29 tudor domain
Descriptor: 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ...
Authors:Li, J, Wu, M, Ruan, J, Zang, J.
Deposit date:2010-04-26
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
2AOE
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BU of 2aoe by Molmil
crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2
Descriptor: ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
4ACL
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BU of 4acl by Molmil
3D Structure of DotU from Francisella novicida
Descriptor: 1,2-ETHANEDIOL, GOLD ION, SODIUM ION, ...
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2011-12-16
Release date:2012-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Structure of the Conserved Type Six Secretion Protein Tssl (Dotu) from Francisella Novicida
J.Mol.Biol., 419, 2012
2AOH
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BU of 2aoh by Molmil
Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR
Descriptor: CHLORIDE ION, PEPTIDE INHIBITOR, POL POLYPROTEIN, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005

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