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4XEN
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BU of 4xen by Molmil
High pressure protein crystallography of hen egg white lysozyme in complex with Tetra-N-acetylchitotetraose at 920 MPa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Yamada, H, Watanabe, N, Nagae, T.
Deposit date:2014-12-24
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4XF3
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BU of 4xf3 by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine and dithionite
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFC
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BU of 4xfc by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 unliganded
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4LS0
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BU of 4ls0 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033
Descriptor: 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H, Ren, X, Zhu, J.
Deposit date:2013-07-21
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DHO1B0033
To be Published
4XHB
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BU of 4xhb by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with pentanediol and CHES
Descriptor: (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-05
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJ2
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BU of 4xj2 by Molmil
FerA - NADH:FMN oxidoreductase from Paracoccus denitrificans in complex with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Flavin reductase domain protein, FMN-binding protein
Authors:Sedlacek, V, Klumpler, T, Marek, J, Kucera, I.
Deposit date:2015-01-08
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical properties and crystal structure of the flavin reductase FerA from Paracoccus denitrificans.
Microbiol. Res., 188-189, 2016
4LT1
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BU of 4lt1 by Molmil
HEWL co-crystallised with Carboplatin in non-NaCl conditions: crystal 1 processed using the XDS software package
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R.
Deposit date:2013-07-23
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Carboplatin binding to a model protein in non-NaCl conditions to eliminate partial conversion to cisplatin, and the use of different criteria to choose the resolution limit
To be Published
4M8D
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BU of 4m8d by Molmil
Crystal structure of an isatin hydrolase bound to product analogue thioisatinate
Descriptor: CALCIUM ION, MANGANESE (II) ION, Putative uncharacterized protein, ...
Authors:Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P.
Deposit date:2013-08-13
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A proton wire and water channel revealed in the crystal structure of isatin hydrolase.
J.Biol.Chem., 289, 2014
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAD
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BU of 4xad by Molmil
Crystal structure of hen egg white lysozyme in complex with Galf-GlcNAc
Descriptor: CHLORIDE ION, Lysozyme C, beta-D-galactofuranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Wangkanont, K, Kiessling, L.L.
Deposit date:2014-12-14
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of hen egg white lysozyme in complex with Galf-GlcNAc, an O-linked disaccharide core from Trypanosoma cruzi
to be published
4XBR
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BU of 4xbr by Molmil
In cellulo Crystal Structure of PAK4 in complex with Inka
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein FAM212A,Serine/threonine-protein kinase PAK 4
Authors:Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C.
Deposit date:2014-12-17
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
4XD3
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BU of 4xd3 by Molmil
Phosphotriesterase variant E3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4M1B
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BU of 4m1b by Molmil
Structural Determination of BA0150, a Polysaccharide Deacetylase from Bacillus anthracis
Descriptor: Polysaccharide deacetylase, TRIETHYLENE GLYCOL
Authors:Cole, K.E, Perry, K.
Deposit date:2013-08-02
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure determination of BA0150, a putative polysaccharide deacetylase from Bacillus anthracis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4XDG
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BU of 4xdg by Molmil
Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule
Descriptor: (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
Deposit date:2014-12-19
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
3ZTD
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BU of 3ztd by Molmil
pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate
Descriptor: METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
Authors:VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
Deposit date:2011-07-07
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
4M51
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BU of 4m51 by Molmil
Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ...
Authors:Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-07
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
4ZGS
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BU of 4zgs by Molmil
Identification of the pyruvate reductase of Chlamydomonas reinhardtii
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative D-lactate dehydrogenase
Authors:Burgess, S.J, Hussein, T, Yeoman, J.A, Iamshanova, O, Boehm, M, Bundy, J, Bialek, W, Murray, J.W, Nixon, P.J.
Deposit date:2015-04-23
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Identification of the Elusive Pyruvate Reductase of Chlamydomonas reinhardtii Chloroplasts.
Plant Cell.Physiol., 57, 2016
4MAD
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BU of 4mad by Molmil
Crystal structure of beta-galactosidase C (BgaC) from Bacillus circulans ATCC 31382
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Beta-galactosidase
Authors:Kamerke, C, You, D.J, Kanaya, S, Elling, L.
Deposit date:2013-08-16
Release date:2014-08-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational design of a glycosynthase by the crystal structure of beta-galactosidase from Bacillus circulans (BgaC) and its use for the synthesis of N-acetyllactosamine type 1 glycan structures.
J.Biotechnol., 191, 2014
4MB1
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BU of 4mb1 by Molmil
The Structure of MalL mutant enzyme G202P from Bacillus subtilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Oligo-1,6-glucosidase 1
Authors:Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
Deposit date:2013-08-19
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
4ZM6
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BU of 4zm6 by Molmil
A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase
Descriptor: ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION
Authors:Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R.
Deposit date:2015-05-02
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase
Sci Rep, 5, 2015
4ZO8
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BU of 4zo8 by Molmil
Crystal Structure of mutant (D270A) beta-glucosidase from Listeria innocua in complex with sophorose
Descriptor: Lin1840 protein, MAGNESIUM ION, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
Authors:Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
Deposit date:2015-05-06
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
4OCN
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BU of 4ocn by Molmil
Crystal Structure of the Rpn8-Rpn11 MPN domain heterodimer, crystal form II
Descriptor: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, Nb1
Authors:Pathare, G.R, Bracher, A.
Deposit date:2014-01-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the proteasomal deubiquitylation module Rpn8-Rpn11.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Z3Y
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BU of 4z3y by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
4ZFA
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BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4OGX
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BU of 4ogx by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
Descriptor: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014

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