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4KRT
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BU of 4krt by Molmil
X-ray structure of endolysin from clostridium perfringens phage phiSM101
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Autolytic lysozyme, ...
Authors:Kamitori, S, Yoshida, H.
Deposit date:2013-05-17
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:X-ray structure of a novel endolysin encoded by episomal phage phiSM101 of Clostridium perfringens.
Mol.Microbiol., 92, 2014
2I0K
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BU of 2i0k by Molmil
Cholesterol Oxidase from Brevibacterium sterolicum- His121Ala Mutant
Descriptor: CACODYLATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Vrielink, A, Lim, L.
Deposit date:2006-08-10
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analyses of the H121A mutant of cholesterol oxidase.
Biochem.J., 400, 2006
4KTF
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BU of 4ktf by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol
Descriptor: 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A.
Deposit date:2013-05-20
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
4DUB
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BU of 4dub by Molmil
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
3E84
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BU of 3e84 by Molmil
Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
Descriptor: 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2008-08-19
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
4NC5
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BU of 4nc5 by Molmil
Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate)
Descriptor: 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, PHOSPHATE ION, Sialidase-2
Authors:Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G.
Deposit date:2013-10-24
Release date:2013-11-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
2I3A
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BU of 2i3a by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase
Authors:Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-08-17
Release date:2006-08-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
4KVL
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BU of 4kvl by Molmil
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid
Descriptor: CALCIUM ION, CHLORIDE ION, Fatty acid alpha-oxidase, ...
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2013-05-22
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Protein Sci., 22, 2013
2END
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BU of 2end by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
Descriptor: ENDONUCLEASE V
Authors:Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
Deposit date:1994-08-08
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
4NOV
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BU of 4nov by Molmil
Xsa43E, a GH43 family enzyme from Butyrivibrio proteoclasticus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Xylosidase/arabinofuranosidase Xsa43E
Authors:Till, M, Arcus, V.L.
Deposit date:2013-11-20
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural analysis of the GH43 enzyme Xsa43E from Butyrivibrio proteoclasticus
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
4NDI
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BU of 4ndi by Molmil
Human Aprataxin (Aptx) AOA1 variant K197Q bound to RNA-DNA, AMP, and Zn - product complex
Descriptor: 5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3', 5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3', ADENOSINE MONOPHOSPHATE, ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2013-10-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity.
Nature, 506, 2013
4KTZ
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BU of 4ktz by Molmil
Lactococcus phage 67 RuvC
Descriptor: MAGNESIUM ION, RuvC endonuclease
Authors:Rafferty, J.B, Green, V.
Deposit date:2013-05-21
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutants of phage bIL67 RuvC with enhanced Holliday junction binding selectivity and resolution symmetry.
Mol.Microbiol., 89, 2013
6ASK
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BU of 6ask by Molmil
Crystal Structure of apo Flavin monooxygenase CmoJ (earlier YtnJ)
Descriptor: Putative monooxygenase MoxC
Authors:Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
Deposit date:2017-08-24
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
3EBA
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BU of 3eba by Molmil
CAbHul6 FGLW mutant (humanized) in complex with human lysozyme
Descriptor: CAbHul6, Lysozyme C, SULFATE ION
Authors:Loris, R, Vincke, C, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K.
Deposit date:2008-08-27
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:General Strategy to Humanize a Camelid Single-domain Antibody and Identification of a Universal Humanized Nanobody Scaffold
J.Biol.Chem., 284, 2009
1W36
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BU of 1w36 by Molmil
RecBCD:DNA complex
Descriptor: CALCIUM ION, DNA HAIRPIN, EXODEOXYRIBONUCLEASE V ALPHA CHAIN, ...
Authors:Singleton, M.R, Dillingham, M.S, Gaudier, M, C Kowalczykowski, S, Wigley, D.B.
Deposit date:2004-07-13
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Recbcd Enzyme Reveals a Machine for Processing DNA Breaks
Nature, 432, 2004
4NGJ
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BU of 4ngj by Molmil
Dialyzed HEW lysozyme batch crystallized in 1.0 M RbCl and collected at 100 K
Descriptor: CHLORIDE ION, Lysozyme C, RUBIDIUM ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-02
Release date:2014-05-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KWL
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BU of 4kwl by Molmil
Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound
Descriptor: 3-disulfanylpropanoic acid, Cysteine dioxygenase type 1, FE (II) ION
Authors:Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L.
Deposit date:2013-05-24
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase.
Biochemistry, 52, 2013
6AWA
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BU of 6awa by Molmil
1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-05
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
To Be Published
2I82
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BU of 2i82 by Molmil
Crystal structure of pseudouridine synthase RluA: indirect sequence readout through protein-induced RNA structure
Descriptor: (5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, 5'-R(*GP*AP*GP*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*CP*CP*UP*C)-3', Ribosomal large subunit pseudouridine synthase A
Authors:Hoang, C.
Deposit date:2006-08-31
Release date:2006-11-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of pseudouridine synthase RluA: indirect sequence readout through protein-induced RNA structure
Mol.Cell, 24, 2006
2HXC
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BU of 2hxc by Molmil
Crystal structure of the benzylamine complex of aromatic amine dehydrogenase in N-semiquinone form
Descriptor: Aromatic amine dehydrogenase, BENZYLAMINE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-03
Release date:2006-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J.Biol.Chem., 281, 2006
4KX6
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BU of 4kx6 by Molmil
Plasticity of the quinone-binding site of the complex II homolog quinol:fumarate reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Singh, P.K, Sarwar, M, Maklashina, E, Kotlyar, V, Rajagukguk, S, Tomasiak, T.M, Cecchini, G, Iverson, T.M.
Deposit date:2013-05-24
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Plasticity of the Quinone-binding Site of the Complex II Homolog Quinol:Fumarate Reductase.
J.Biol.Chem., 288, 2013
1W61
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BU of 1w61 by Molmil
proline racemase in complex with 2 molecules of pyrrole-2-carboxylic acid (holo form)
Descriptor: B-CELL MITOGEN, PYRROLE-2-CARBOXYLATE
Authors:Buschiazzo, A, Alzari, P.
Deposit date:2004-08-11
Release date:2006-02-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure,Catalytic Mechanism and Mitogenic Properties of Trypanosoma Cruzi Proline Racemase
Proc.Natl.Acad.Sci.USA, 103, 2006
6AX6
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BU of 6ax6 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
Descriptor: FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase
Authors:Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
Deposit date:2017-09-06
Release date:2018-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
4NJM
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BU of 4njm by Molmil
Crystal Structure of phosphoglycerate bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
Descriptor: 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase, putative
Authors:Singh, R.K, Gourinath, S.
Deposit date:2013-11-11
Release date:2014-10-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014

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