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4IIB
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BU of 4iib by Molmil
Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S.
Deposit date:2012-12-20
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
1MAE
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The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE
Authors:Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
Deposit date:1992-05-20
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
4DNJ
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The crystal structures of 4-methoxybenzoate bound CYP199A2
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L.
Deposit date:2012-02-08
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
3ZWS
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Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
Descriptor: 2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, ACETATE ION, CHLORIDE ION, ...
Authors:Acklam, P.A, Parsons, M.R.
Deposit date:2011-08-02
Release date:2012-06-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Factors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases.
J.Med.Chem., 55, 2012
2A39
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HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I
Authors:Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M.
Deposit date:1998-01-30
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
2XJ7
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BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine
Descriptor: 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2010-07-02
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of O-Glcnacase Using a Potent and Cell-Permeable Inhibitor Does not Induce Insulin Resistance in 3T3-L1 Adipocytes.
Chem.Biol., 17, 2010
4DVQ
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BU of 4dvq by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
Descriptor: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ...
Authors:Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
Deposit date:2012-02-23
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
1MDA
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BU of 1mda by Molmil
CRYSTAL STRUCTURE OF AN ELECTRON-TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE AND AMICYANIN
Descriptor: AMICYANIN, COPPER (II) ION, METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), ...
Authors:Chen, L, Durley, R, Mathews, F.S.
Deposit date:1992-03-02
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an electron-transfer complex between methylamine dehydrogenase and amicyanin.
Biochemistry, 31, 1992
2XSR
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Crystal structure of wild type Acinetobacter radioresistens catechol 1,2 dioxygenase
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, CATECHOL 1,2 DIOXYGENASE, FE (III) ION
Authors:Micalella, C, Martignon, S, Bruno, S, Rizzi, M.
Deposit date:2010-09-30
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase.
Biochim.Biophys.Acta, 1814, 2011
212L
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BU of 212l by Molmil
PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME
Descriptor: 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME
Authors:Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W.
Deposit date:1996-09-23
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
1XD1
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BU of 1xd1 by Molmil
Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ...
Authors:Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D.
Deposit date:2004-09-03
Release date:2004-12-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
3ZF5
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BU of 3zf5 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84F mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ...
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
1MQR
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BU of 1mqr by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6
Descriptor: ALPHA-D-GLUCURONIDASE, GLYCEROL
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-09-17
Release date:2003-09-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
3ZJ6
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BU of 3zj6 by Molmil
Crystal of Raucaffricine Glucosidase in complex with inhibitor
Descriptor: (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
4IQY
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BU of 4iqy by Molmil
Crystal structure of the human protein-proximal ADP-ribosyl-hydrolase MacroD2
Descriptor: MAGNESIUM ION, O-acetyl-ADP-ribose deacetylase MACROD2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Jankevicius, G, Hassler, M, Golia, B, Rybin, V, Zacharias, M, Timinszky, G, Ladurner, A.G.
Deposit date:2013-01-14
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A family of macrodomain proteins reverses cellular mono-ADP-ribosylation.
Nat.Struct.Mol.Biol., 20, 2013
1XFP
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BU of 1xfp by Molmil
Crystal structure of the CDR2 germline reversion mutant of cAb-Lys3 in complex with hen egg white lysozyme
Descriptor: FORMIC ACID, Lysozyme C, heavy chain antibody
Authors:De Genst, E, Handelberg, F, Van Meirhaeghe, A, Vynck, S, Loris, R, Wyns, L, Muyldermans, S.
Deposit date:2004-09-15
Release date:2004-09-28
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical Basis for the Affinity Maturation of a Camel Single Domain Antibody
J.Biol.Chem., 279, 2004
2XXB
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Penta-mutant of Thermus thermophilus lactate dehydrogenase, complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, L-LACTATE DEHYDROGENASE
Authors:Diop, F, Coquelle, N, Vellieux, F.M.D.
Deposit date:2010-11-09
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Lactate Dehydrogenase from T. Thermophilus, Penta-Mutant (Complex with AMP)
To be Published
4J1B
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X-ray structure of the adduct between hen egg white lysozyme and AziRu (black crystal)
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-02-01
Release date:2013-04-03
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu.
Inorg.Chem., 52, 2013
1MZ5
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Trypanosoma rangeli sialidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, sialidase
Authors:Buschiazzo, A, Tavares, G.A, Campetella, O, Spinelli, S, Cremona, M.L, Paris, G, Amaya, M.F, Frasch, A.C.C, Alzari, P.M.
Deposit date:2002-10-05
Release date:2002-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of sialyltransferase activity in trypanosomal sialidases
Embo J., 19, 2000
3ZG2
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BU of 3zg2 by Molmil
Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)
Descriptor: (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I.
Deposit date:2012-12-14
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
2Y1T
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Bacillus subtilis prophage dUTPase in complex with dUDP
Descriptor: DEOXYURIDINE-5'-DIPHOSPHATE, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE YOSS
Authors:Garcia-Nafria, J, Harkiolaki, M, Persson, R, Fogg, M.J, Wilson, K.S.
Deposit date:2010-12-10
Release date:2011-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Structure of Bacillus Subtilis Sp Beta Prophage Dutpase and its Complexes with Two Nucleotides
Acta Crystallogr.,Sect.D, 67, 2011
2Y0C
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BceC mutation Y10S
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C.
Deposit date:2010-12-02
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
J.Bacteriol., 193, 2011
4J2M
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Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Descriptor: COBALT (II) ION, Phosphotriesterase, putative
Authors:Rajendran, C, Meier, M, Reinhard, S.
Deposit date:2013-02-04
Release date:2013-07-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
4DUB
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cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 9D7
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
3ZHU
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Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, second post-decarboxylation intermediate from 2-oxoadipate
Descriptor: (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ...
Authors:Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M.
Deposit date:2012-12-24
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014

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