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5UEJ
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BU of 5uej by Molmil
1.30 A crystal structure of DapE enzyme from Neisseria meningitidis MC58
Descriptor: SULFATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION
Authors:Nocek, B, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-01-02
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.30 A crystal structure of DapE enzyme from Neisseria meningitidis MC58
To Be Published
5UFP
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BU of 5ufp by Molmil
Crystal structure of PT2399 bound to HIF2a-B*:ARNT-B* complex
Descriptor: 3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Du, X.
Deposit date:2017-01-05
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:On-target efficacy of a HIF-2 alpha antagonist in preclinical kidney cancer models.
Nature, 539, 2016
6JR5
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BU of 6jr5 by Molmil
ZHD/H242A complex with bZOL
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase
Authors:Hu, X.J.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of ZHD complex
To Be Published
6JR9
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BU of 6jr9 by Molmil
ZHD/W183F complex with ZEN
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of ZHD complex
To Be Published
6JP1
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BU of 6jp1 by Molmil
An X-ray structure of met sperm whale F43Y/T67R myoglobin with Tyr-heme double cross-links
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W, Yuan, H.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unique Tyr-heme double cross-links in F43Y/T67R myoglobin: an artificial enzyme with a peroxidase activity comparable to that of native peroxidases.
Chem.Commun.(Camb.), 55, 2019
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
2WUD
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BU of 2wud by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis
Descriptor: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, THIOCYANATE ION
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
5U97
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BU of 5u97 by Molmil
Crystal structure of Co-CAO1 in complex with piceatannol
Descriptor: BENZOIC ACID, COBALT (II) ION, Carotenoid oxygenase 1, ...
Authors:Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D.
Deposit date:2016-12-15
Release date:2017-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
Biochemistry, 56, 2017
5K2N
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BU of 5k2n by Molmil
lysozyme with nano particles
Descriptor: Lysozyme C
Authors:Ko, S, Choe, J.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Lysozyme
To Be Published
6JR2
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BU of 6jr2 by Molmil
ZHD/H242A complex with aZOL
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of ZHD complex
To Be Published
6JR8
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BU of 6jr8 by Molmil
Flavobacterium johnsoniae GH31 dextranase, FjDex31A, mutant D412A complexed with isomaltotriose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Candidate alpha-glycosidase Glycoside hydrolase family 31, ...
Authors:Tonozuka, T.
Deposit date:2019-04-02
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into polysaccharide recognition by Flavobacterium johnsoniae dextranase, a member of glycoside hydrolase family 31.
Febs J., 287, 2020
5NMK
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BU of 5nmk by Molmil
HLA A02 presenting SLFNTIAVL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K.
Deposit date:2017-04-06
Release date:2017-11-15
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
5JSI
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BU of 5jsi by Molmil
Structure of membrane protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V.
Deposit date:2016-05-08
Release date:2017-05-31
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
5NOW
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BU of 5now by Molmil
Structure of cyclophilin A in complex with pyridine-3,4-diamine
Descriptor: Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine
Authors:Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5UIV
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BU of 5uiv by Molmil
Structure of Thymidylate Kinase from Candida albicans Reveals Origin of Broad Substrate Specificity and a Novel Structural Element.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional thymidylate/uridylate kinase, MAGNESIUM ION, ...
Authors:Sinha, K, Rule, G.S.
Deposit date:2017-01-15
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Thymidylate Kinase from Candida albicans Reveals a Unique Structural Element.
Biochemistry, 56, 2017
5N77
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BU of 5n77 by Molmil
Crystal structure of the cytosolic domain of the CorA magnesium channel from Escherichia coli in complex with magnesium
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, MAGNESIUM ION, Magnesium transport protein CorA
Authors:Lerche, M, Sandhu, H, Flockner, L, Hogbom, M, Rapp, M.
Deposit date:2017-02-20
Release date:2017-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Cooperativity of the Cytosolic Domain of the CorA Mg(2+) Channel from Escherichia coli.
Structure, 25, 2017
5N7Q
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BU of 5n7q by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ...
Authors:Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
Deposit date:2017-02-21
Release date:2017-12-27
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
2BEU
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BU of 2beu by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
5UJ9
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BU of 5uj9 by Molmil
Cryo-EM structure of bovine multidrug resistance protein 1 (MRP1)
Descriptor: bovine multidrug resistance protein 1 (MRP1),Multidrug resistance-associated protein 1
Authors:Johnson, Z.L, Chen, J.
Deposit date:2017-01-17
Release date:2017-02-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis of Substrate Recognition by the Multidrug Resistance Protein MRP1.
Cell, 168, 2017
6JV4
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BU of 6jv4 by Molmil
Crystal structure of metallo-beta-lactamase VMB-1
Descriptor: CITRIC ACID, VMB-1, ZINC ION
Authors:Cheng, Q, Chen, S.
Deposit date:2019-04-15
Release date:2019-11-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
5ULD
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BU of 5uld by Molmil
Structure and function of the divalent anion/Na+ symporter from Vibrio cholerae and a humanized variant
Descriptor: CITRIC ACID, SODIUM ION, Transporter, ...
Authors:Lu, M.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure and function of the divalent anion/Na(+) symporter from Vibrio cholerae and a humanized variant.
Nat Commun, 8, 2017
5ULH
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BU of 5ulh by Molmil
Structure of RNF165 in complex with a UbcH5b~Ub conjugate
Descriptor: E3 ubiquitin-protein ligase RNF165, GLYCEROL, THIOCYANATE ION, ...
Authors:Middleton, A.J, Day, C.L, Wright, J.D.
Deposit date:2017-01-24
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
5UIA
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BU of 5uia by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
Descriptor: (2S)-2,3-dihydroxy-3-methylbutanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2017-01-13
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
To be published
1DUC
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BU of 1duc by Molmil
EIAV DUTPASE DUDP/STRONTIUM COMPLEX
Descriptor: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, DEOXYURIDINE-5'-DIPHOSPHATE, STRONTIUM ION
Authors:Dauter, Z, Persson, R, Rosengren, A.M, Nyman, P.O, Wilson, K.S, Cedergren-Zeppezauer, E.S.
Deposit date:1997-11-29
Release date:1998-06-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of dUTPase from equine infectious anaemia virus; active site metal binding in a substrate analogue complex.
J.Mol.Biol., 285, 1999
5K26
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BU of 5k26 by Molmil
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase 11,Chimera protein of MLK3-SH3 and MIP
Authors:Kall, S.K, Lavie, A.
Deposit date:2016-05-18
Release date:2017-12-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018

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