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3NHJ
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BU of 3nhj by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3VPH
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BU of 3vph by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24 complexed with oxamate, NADH and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
3NHU
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BU of 3nhu by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
1F3P
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FERREDOXIN REDUCTASE (BPHA4)-NADH COMPLEX
Descriptor: FERREDOXIN REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Senda, T, Yamada, T, Sakurai, N, Kubota, M, Nishizaki, T, Masai, E, Fukuda, M, Mitsuidagger, Y.
Deposit date:2000-06-06
Release date:2001-06-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of NADH-dependent ferredoxin reductase component in biphenyl dioxygenase.
J.Mol.Biol., 304, 2000
3VIP
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Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product
Descriptor: 2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside, 5H-dibenzo[b,f]azepine, Beta-glucosidase, ...
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 (1.28 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
3VR8
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BU of 3vr8 by Molmil
Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum
Descriptor: 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Shimizu, H, Shiba, T, Inaoka, D.K, Osanai, A, Kita, K, Sakamoto, K, Harada, S.
Deposit date:2012-04-07
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum
J.Biochem., 151, 2012
1A5O
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BU of 1a5o by Molmil
K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL
Descriptor: FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ...
Authors:Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
2ZAF
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BU of 2zaf by Molmil
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
Authors:Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
Deposit date:2007-10-05
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
3NJ3
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BU of 3nj3 by Molmil
Crystal structure of xylanase 10B from Thermotoga petrophila RKU-1 in complex with xylobiose
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase, SULFATE ION, ...
Authors:Santos, C.R, Meza, A.N, Trindade, D.M, Ruller, R, Squina, F.M, Prade, R.A, Murakami, M.T.
Deposit date:2010-06-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Thermal-induced conformational changes in the product release area drive the enzymatic activity of xylanases 10B: Crystal structure, conformational stability and functional characterization of the xylanase 10B from Thermotoga petrophila RKU-1.
Biochem.Biophys.Res.Commun., 403, 2010
1F4U
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BU of 1f4u by Molmil
THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS
Descriptor: CYTOCHROME P450 119, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2000-06-09
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus.
J.Biol.Chem., 275, 2000
3VL7
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BU of 3vl7 by Molmil
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 650 MPa
Descriptor: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
Authors:Nagae, T, Watanabe, N.
Deposit date:2011-11-29
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
2ZCU
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BU of 2zcu by Molmil
Crystal structure of a new type of NADPH-dependent quinone oxidoreductase (QOR2) from escherichia coli
Descriptor: COPPER (II) ION, Uncharacterized oxidoreductase ytfG
Authors:Kim, I.K, Yim, H.S, Kim, M.K, Kim, D.W, Kim, Y.M, Cha, S.S, Kang, S.O.
Deposit date:2007-11-13
Release date:2008-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a new type of NADPH-dependent quinone oxidoreductase (QOR2) from Escherichia coli
J.Mol.Biol., 379, 2008
3VTJ
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Cytochrome P450SP alpha (CYP152B1) mutant A245H
Descriptor: Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2012-05-30
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
1AJD
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BU of 1ajd by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE INTERMEDIATE II OF HOLO ENZYME, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-18
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
2Z2E
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BU of 2z2e by Molmil
Crystal Structure of Canine Milk Lysozyme Stabilized against Non-enzymatic Deamidation
Descriptor: Lysozyme C, milk isozyme, SULFATE ION
Authors:Nonaka, Y, Akieda, D, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K.
Deposit date:2007-05-21
Release date:2007-11-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Spontaneous asparaginyl deamidation of canine milk lysozyme under mild conditions
Proteins, 72, 2008
3O2L
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BU of 3o2l by Molmil
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Descriptor: Endo-1,4-beta-xylanase
Authors:Thomas, L.M, Privett, H.K, Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WQ2
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GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating iodide
Descriptor: GENERAL CONTROL PROTEIN GCN4, IODIDE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
3VNM
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BU of 3vnm by Molmil
Crystal structures of D-Psicose 3-epimerase with D-sorbose from Clostridium cellulolyticum H10
Descriptor: D-sorbose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
Authors:Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
Deposit date:2012-01-17
Release date:2012-08-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
3VW7
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Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ...
Authors:Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K.
Deposit date:2012-08-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
1UBG
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BU of 1ubg by Molmil
MsREcA-dATP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, RecA
Authors:Datta, S, Krishna, R, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2003-04-04
Release date:2003-07-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structures of Mycobacterium smegmatis RecA and Its Nucleotide Complexes
J.BACTERIOL., 185, 2003
2ZEX
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Family 16 carbohydrate binding module
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
3VOS
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BU of 3vos by Molmil
Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With glycerol and sulfate From Mycobacterium tuberculosis H37Rv
Descriptor: Aspartate-semialdehyde dehydrogenase, GLYCEROL, SULFATE ION
Authors:Vyas, R, Tewari, R, Weiss, M.S, Karthikeyan, S.
Deposit date:2012-02-07
Release date:2012-05-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of ternary complexes of aspartate-semialdehyde dehydrogenase (Rv3708c) from Mycobacterium tuberculosis H37Rv
Acta Crystallogr.,Sect.D, 68, 2012
1F0X
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CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL MEMBRANE RESPIRATORY ENZYME.
Descriptor: D-LACTATE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Dym, O, Pratt, E.A, Ho, C, Eisenberg, D.
Deposit date:2000-05-17
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of D-lactate dehydrogenase, a peripheral membrane respiratory enzyme.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F17
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L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-3-HYDROXYACYL-COA DEHYDROGENASE
Authors:Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
Deposit date:2000-05-18
Release date:2000-09-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
1F1D
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BU of 1f1d by Molmil
Crystal structure of yeast H46C cuznsod mutant
Descriptor: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
Deposit date:2000-05-18
Release date:2002-12-18
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999

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