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4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Descriptor: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMS
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BU of 4pms by Molmil
The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Descriptor: 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMM
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BU of 4pmm by Molmil
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMT
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BU of 4pmt by Molmil
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Descriptor: ACETATE ION, CHLORIDE ION, High affinity nerve growth factor receptor, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4M09
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BU of 4m09 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q
Descriptor: 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ...
Authors:Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
2R8P
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BU of 2r8p by Molmil
Transketolase from E. coli in complex with substrate D-fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ...
Authors:Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K.
Deposit date:2007-09-11
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate.
Biochemistry, 46, 2007
2R5N
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BU of 2r5n by Molmil
Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate
Descriptor: 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, CALCIUM ION, ...
Authors:Parthier, C, Asztalos, P, Wille, G, Tittmann, K.
Deposit date:2007-09-04
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate.
Biochemistry, 46, 2007
2R8O
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BU of 2r8o by Molmil
Transketolase from E. coli in complex with substrate D-xylulose-5-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, ...
Authors:Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K.
Deposit date:2007-09-11
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate.
Biochemistry, 46, 2007
2R5K
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BU of 2r5k by Molmil
Pentamer Structure of Major Capsid protein L1 of Human Papilloma Virus type 11
Descriptor: Major capsid protein L1
Authors:Bishop, B, Dasgupta, J, Chen, X.S.
Deposit date:2007-09-03
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
2R5H
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BU of 2r5h by Molmil
Pentamer structure of Major Capsid Protein L1 of Human Papilloma Virus type 16
Descriptor: Late major capsid protein L1
Authors:Bishop, B, Dasgupta, J, Chen, X.S.
Deposit date:2007-09-03
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
2R5J
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BU of 2r5j by Molmil
Pentamer Structure of Major Capsid protein L1 of Human Papilloma Virus Type 35
Descriptor: Major capsid protein L1
Authors:Bishop, B, Dasgupta, J, Chen, X.S.
Deposit date:2007-09-03
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
2R5I
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BU of 2r5i by Molmil
Pentamer Structure of Major Capsid Protein L1 of Human Papilloma Virus type 18
Descriptor: L1 protein
Authors:Bishop, B, Dasgupta, J, Chen, X.S.
Deposit date:2007-09-03
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
4UKD
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BU of 4ukd by Molmil
UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, UDP, BERYLLIUM FLUORIDE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM DIFLUORIDE, MAGNESIUM ION, ...
Authors:Schlichting, I, Reinstein, J.
Deposit date:1997-05-20
Release date:1998-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative.
Biochemistry, 36, 1997
8AEP
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BU of 8aep by Molmil
Reductase domain of the carboxylate reductase of Neurospora crassa
Descriptor: Acetyl-CoA synthetase-like protein, CHLORIDE ION, SULFATE ION
Authors:Daniel, B, Schrufer, A, Marlene, L, Sagmeister, T, Pavkov-Keller, T.
Deposit date:2022-07-13
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Reductase Domain of a Fungal Carboxylic Acid Reductase and Its Substrate Scope in Thioester and Aldehyde Reduction.
Acs Catalysis, 12, 2022
6ERC
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BU of 6erc by Molmil
Peroxidase A from Dictyostelium discoideum (DdPoxA)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nicolussi, A, Mlynek, G, Furtmueller, P.G, Djinovic-Carugo, K, Obinger, C.
Deposit date:2017-10-17
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.50001836 Å)
Cite:Secreted heme peroxidase from Dictyostelium discoideum: Insights into catalysis, structure, and biological role.
J. Biol. Chem., 293, 2018
5UKD
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BU of 5ukd by Molmil
PH INFLUENCES FLUORIDE COORDINATION NUMBER OF THE ALFX PHOSPHORYL TRANSFER TRANSITION STATE ANALOG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Schlichting, I, Reinstein, J.
Deposit date:1999-04-18
Release date:1999-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:pH influences fluoride coordination number of the AlFx phosphoryl transfer transition state analog.
Nat.Struct.Biol., 6, 1999
1QF9
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BU of 1qf9 by Molmil
PH INFLUENCES FLUORIDE COORDINATION NUMBER OF THE ALFX PHOSPHORYL TRANSFER TRANSITION STATE ANALOG IN UMP/CMP KINASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Schlichting, I, Reinstein, J.
Deposit date:1999-04-07
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:pH influences fluoride coordination number of the AlFx phosphoryl transfer transition state analog.
Nat.Struct.Biol., 6, 1999
1HF6
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BU of 1hf6 by Molmil
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE ORTHORHOMBIC CRYSTAL FORM IN COMPLEX WITH CELLOTRIOSE
Descriptor: ACETIC ACID, ENDOGLUCANASE B, GLYCEROL, ...
Authors:Varrot, A, Withers, S, Vasella, A, Schulein, M, Davies, G.J.
Deposit date:2000-11-29
Release date:2001-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Direct Experimental Observation of the Hydrogen-Bonding Network of a Glycosidase Along its Reaction Coordinate Revealed by Atomic Resolution Analyses of Endoglucanase Cel5A
Acta Crystallogr.,Sect.D, 59, 2003
7A8Y
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BU of 7a8y by Molmil
X-ray crystal structure of Aspartate alpha-decarboxylase in complex with D-Serine
Descriptor: 1,2-ETHANEDIOL, Aspartate 1-decarboxylase, D-SERINE, ...
Authors:Yorke, B.A, Raskar, T.
Deposit date:2020-08-31
Release date:2021-10-06
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and diffusive dynamics of aspartate alpha-decarboxylase (ADC) liganded with D-serine in aqueous solution.
Phys Chem Chem Phys, 2022
7B7Z
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BU of 7b7z by Molmil
DeAMPylation complex of monomeric FICD and AMPylated BiP (state 1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Endoplasmic reticulum chaperone BiP, ...
Authors:Perera, L.A, Ron, D.
Deposit date:2020-12-12
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD.
Nat Commun, 12, 2021
7B80
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BU of 7b80 by Molmil
DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Perera, L.A, Ron, D.
Deposit date:2020-12-12
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD.
Nat Commun, 12, 2021
7BG0
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BU of 7bg0 by Molmil
Fusion of MBP and the backbone of the long-acting amylin analog AM833.
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Islet amyloid polypeptide, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Johansson, E.
Deposit date:2021-01-05
Release date:2021-08-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Development of Cagrilintide, a Long-Acting Amylin Analogue.
J.Med.Chem., 64, 2021
1UKE
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BU of 1uke by Molmil
UMP/CMP KINASE FROM SLIME MOLD
Descriptor: MAGNESIUM ION, P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE, URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE
Authors:Scheffzek, K, Kliche, W, Wiesmueller, L, Reinstein, J.
Deposit date:1998-01-07
Release date:1998-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the complex of UMP/CMP kinase from Dictyostelium discoideum and the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-uridyl) pentaphosphate (UP5A) and Mg2+ at 2.2 A: implications for water-mediated specificity.
Biochemistry, 35, 1996
2UKD
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BU of 2ukd by Molmil
UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, CMP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Schlichting, I, Reinstein, J.
Deposit date:1997-05-20
Release date:1998-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative.
Biochemistry, 36, 1997
2ML8
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BU of 2ml8 by Molmil
NMR structure of Saccharomyces cerevisiae Acyl Carrier Protein.
Descriptor: Fatty acid synthase subunit alpha
Authors:Wider, G, Perez, D.R, Leibundgut, M.
Deposit date:2014-02-20
Release date:2015-02-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of Saccharomyces cerevisiae Acyl Carrier Protein
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