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4D71
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BU of 4d71 by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ...
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-19
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D6J
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BU of 4d6j by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
4D96
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BU of 4d96 by Molmil
D-Cysteine desulfhydrase from Salmonella typhimurium complexed with 1-amino-1-carboxycyclopropane (ACC)
Descriptor: BENZAMIDINE, D-cysteine desulfhydrase, N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID, ...
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
2R23
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BU of 2r23 by Molmil
Crystal structure of S25-2 Fab in complex with Kdo analogues
Descriptor: D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
Authors:Brooks, C.L, Evans, S.V.
Deposit date:2007-08-24
Release date:2008-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
4D9F
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BU of 4d9f by Molmil
D-Cysteine desulfhydrase from Salmonella typhimurium complexed with D-cycloserine (DCS)
Descriptor: BENZAMIDINE, D-Cysteine desulfhydrase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
4D5C
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BU of 4d5c by Molmil
tetracycline repressor class J, apo form
Descriptor: SULFATE ION, TETRACYCLINE REPRESSOR PROTEIN TETR
Authors:Palm, G.J, Quast, J, Hinrichs, W.
Deposit date:2014-11-03
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Domain Movement in Tetracycline Repressor Classes
To be Published
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
4D72
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BU of 4d72 by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSIDE HYDROLASE, ...
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-19
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D6F
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BU of 4d6f by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D8T
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BU of 4d8t by Molmil
Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 2.2 A resolution
Descriptor: BENZAMIDINE, CHLORIDE ION, D-cysteine desulfhydrase, ...
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
4CWO
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BU of 4cwo by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
2QKH
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BU of 2qkh by Molmil
Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP
Descriptor: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ...
Authors:Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T.
Deposit date:2007-07-11
Release date:2007-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QLQ
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BU of 2qlq by Molmil
Crystal structure of SRC kinase domain with covalent inhibitor RL3
Descriptor: (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D.
Deposit date:2007-07-13
Release date:2008-03-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008
4D6I
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BU of 4d6i by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A L19 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D6H
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BU of 4d6h by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant)
Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ...
Authors:Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
2QW9
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BU of 2qw9 by Molmil
Crystal structure of bovine hsc70 (1-394aa)in the apo state
Descriptor: GLYCEROL, Heat shock cognate 71 kDa protein
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
4D8W
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BU of 4d8w by Molmil
Salmonella typhimurium D-Cysteine desulfhydrase soaked with D-cys shows pyruvate bound 4 A away from active site
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CHLORIDE ION, ...
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
4CMG
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BU of 4cmg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
6K26
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BU of 6k26 by Molmil
Crystal structure of Vibrio cholerae methionine aminopeptidase
Descriptor: Methionine aminopeptidase, SODIUM ION
Authors:Pillalamarri, V, Addlagatta, A.
Deposit date:2019-05-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
Eur.J.Med.Chem., 209, 2020
2QD0
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BU of 2qd0 by Molmil
Crystal structure of mitoNEET
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1
Authors:Lin, J, Zhou, T, Ye, K, Wang, J.
Deposit date:2007-06-20
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4CMC
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BU of 4cmc by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
2QI8
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BU of 2qi8 by Molmil
Crystal structure of drug resistant SRC kinase domain
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src
Authors:Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D.
Deposit date:2007-07-03
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008
4CLH
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BU of 4clh by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM9
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BU of 4cm9 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014

238895

数据于2025-07-16公开中

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