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4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OVW
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BU of 4ovw by Molmil
ENDOGLUCANASE I COMPLEXED WITH EPOXYBUTYL CELLOBIOSE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate, ENDOGLUCANASE I
Authors:Davies, G.J, Schulein, M.
Deposit date:1997-10-06
Release date:1998-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997
2F5P
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BU of 2f5p by Molmil
MutM crosslinked to undamaged DNA sampling A:T base pair IC2
Descriptor: 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*G*TP*CP*CP*AP*AP*GP*TP*CP*TP*AP*CP*C)-3', ZINC ION, ...
Authors:Banerjee, A, Santos, W.L, Verdine, G.L.
Deposit date:2005-11-26
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
3E8Z
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BU of 3e8z by Molmil
X-ray structure of rat arginase I-N130A mutant: the unliganded complex
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Shishova, E.Y, Di Costanzo, L, Christianson, D.W.
Deposit date:2008-08-20
Release date:2008-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3EJT
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BU of 3ejt by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5R)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
3EAW
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BU of 3eaw by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-08-26
Release date:2010-03-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
2RFQ
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BU of 2rfq by Molmil
Crystal structure of 3-HSA hydroxylase from Rhodococcus sp. RHA1
Descriptor: 3-HSA hydroxylase, oxygenase, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE
Authors:Chang, C, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-10-01
Release date:2007-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 3-HSA hydroxylase, oxygenase from Rhodococcus sp. RHA1.
To be Published
2F7R
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BU of 2f7r by Molmil
Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
Descriptor: (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-12-01
Release date:2006-12-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
To be Published
2R6S
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BU of 2r6s by Molmil
Crystal structure of Gab protein
Descriptor: BICINE, FE (II) ION, GLYCEROL, ...
Authors:Lohkamp, B, Dobritzsch, D.
Deposit date:2007-09-06
Release date:2008-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mixture of fortunes: the curious determination of the structure of Escherichia coli BL21 Gab protein.
Acta Crystallogr.,Sect.D, 64, 2008
5XA3
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BU of 5xa3 by Molmil
Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ...
Authors:Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
6IUY
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BU of 6iuy by Molmil
Structure of DsGPDH of Dunaliella salina
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, GLYCEROL, Glycerol-3-phosphate dehydrogenase [NAD(+)], ...
Authors:He, Q, Toh, J.D, Ero, R, Qiao, Z, Kumar, V, Gao, Y.G.
Deposit date:2018-12-01
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The unusual di-domain structure of Dunaliella salina glycerol-3-phosphate dehydrogenase enables direct conversion of dihydroxyacetone phosphate to glycerol.
Plant J., 102, 2020
6A4P
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BU of 6a4p by Molmil
HEWL crystals soaked in 2.5M GuHCl for 40 minutes
Descriptor: CHLORIDE ION, GUANIDINE, Lysozyme C, ...
Authors:Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V.
Deposit date:2018-06-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
3ED0
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BU of 3ed0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
Authors:Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
Deposit date:2008-09-02
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
6E08
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BU of 6e08 by Molmil
Crystal structure of G6PD in complex with structural NADP
Descriptor: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rahighi, S, Mochly Rosen, D, Wakatsuki, S.
Deposit date:2018-07-06
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
5XFM
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BU of 5xfm by Molmil
Crystal structure of beta-arabinopyranosidase
Descriptor: Alpha-glucosidase, CALCIUM ION
Authors:Kato, K, Okuyama, M, Yao, M.
Deposit date:2017-04-10
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel glycoside hydrolase family 97 enzyme: Bifunctional beta-l-arabinopyranosidase/ alpha-galactosidase from Bacteroides thetaiotaomicron.
Biochimie, 142, 2017
3EEF
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BU of 3eef by Molmil
Crystal structure of N-carbamoylsarcosine amidase from thermoplasma acidophilum
Descriptor: N-carbamoylsarcosine amidase related protein, ZINC ION
Authors:Luo, H.-B, Zheng, H, Chruszcz, M, Zimmerman, M.D, Skarina, T, Egorova, O, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-09-04
Release date:2008-09-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure and molecular modeling study of N-carbamoylsarcosine amidase Ta0454 from Thermoplasma acidophilum.
J.Struct.Biol., 169, 2010
4OWB
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BU of 4owb by Molmil
Cisplatin binding to HEWL under sodium bromide crystallisation conditions
Descriptor: 2-methylprop-1-ene, ACETATE ION, BROMIDE ION, ...
Authors:Tanley, S.W.M, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Chemical conversion of cisplatin and carboplatin with histidine in a model protein crystallized under sodium iodide conditions.
Acta Crystallogr.,Sect.F, 70, 2014
4KGX
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BU of 4kgx by Molmil
The R state structure of E. coli ATCase with CTP bound
Descriptor: Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R.
Deposit date:2013-04-29
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
7VDY
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BU of 7vdy by Molmil
Crystal structure of O-ureidoserine racemase
Descriptor: O-ureido-serine racemase, SULFATE ION
Authors:Oda, K, Matoba, Y.
Deposit date:2021-09-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of O-ureidoserine racemase found in the d-cycloserine biosynthetic pathway.
Proteins, 90, 2022
2R8Z
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BU of 2r8z by Molmil
Crystal structure of YrbI phosphatase from Escherichia coli in complex with a phosphate and a calcium ion
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION
Authors:Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T.
Deposit date:2007-09-11
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
4OWH
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BU of 4owh by Molmil
PtBr6 binding to HEWL
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
Deposit date:2014-02-02
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
4KPA
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BU of 4kpa by Molmil
Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG)
Descriptor: Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L.
Deposit date:2013-05-13
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3.
Biochemistry, 52, 2013
6IK7
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BU of 6ik7 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,3-galactobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
2RBS
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BU of 2rbs by Molmil
(r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q
Descriptor: (1R)-3-chloro-1-phenylpropan-1-ol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.557 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
4KPR
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BU of 4kpr by Molmil
Tetrameric form of rat selenoprotein thioredoxin reductase 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, SULFITE ION, ...
Authors:Lindqvist, Y, Sandalova, T, Xu, J, Arner, E.
Deposit date:2013-05-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Trp114 residue of thioredoxin reductase 1 is an electron relay sensor for oxidative stress
To be Published, 2013

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