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4E06
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BU of 4e06 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.196 Å)
Cite:Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4LMU
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BU of 4lmu by Molmil
Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002)
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-11
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LHI
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BU of 4lhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
Descriptor: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-07-01
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
To be Published
4E1V
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BU of 4e1v by Molmil
X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Lashkov, A.A, Sotnichenko, S.E, Prokofev, I.I, Gabdoulkhakov, A.G, Mikhailov, A.M.
Deposit date:2012-03-07
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae.
Acta Crystallogr.,Sect.D, 68, 2012
4LN1
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BU of 4ln1 by Molmil
CRYSTAL STRUCTURE OF L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
Descriptor: CALCIUM ION, L-lactate dehydrogenase 1
Authors:Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-07-11
Release date:2013-07-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
To be Published
4E3A
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BU of 4e3a by Molmil
CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42
Descriptor: ADENOSINE, sugar kinase protein
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-09
Release date:2012-03-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42
To be Published
4LIZ
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BU of 4liz by Molmil
Crystal structure of coactosin from Entamoeba histolytica
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Actin-binding protein, cofilin/tropomyosin family protein, ...
Authors:Gourinath, S, Kumar, N.
Deposit date:2013-07-04
Release date:2014-07-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:EhCoactosin stabilizes actin filaments in the protist parasite Entamoeba histolytica.
Plos Pathog., 10, 2014
4E44
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BU of 4e44 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer
Descriptor: Centromere protein S, Centromere protein X
Authors:Fox III, D, Zhao, Y, Yang, W, Weidong, W.
Deposit date:2012-03-12
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
4L80
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BU of 4l80 by Molmil
Crystal Structure of Chloroflexus aurantiacus malyl-CoA lyase in complex with magnesium, oxalate, and propionyl-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
Authors:Zarzycki, J, Kerfeld, C.A.
Deposit date:2013-06-15
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.
Bmc Struct.Biol., 13, 2013
4E4P
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BU of 4e4p by Molmil
Second native structure of Xylanase A1 from Paenibacillus sp. JDR-2
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase A, MAGNESIUM ION
Authors:Pozharski, E, St John, F.J.
Deposit date:2012-03-13
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2.
J.Struct.Biol., 180, 2012
4E6K
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BU of 4e6k by Molmil
2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd)
Descriptor: Bacterioferritin, FE2/S2 (INORGANIC) CLUSTER, PHOSPHATE ION, ...
Authors:Lovell, S, Battaile, K.P, Yao, H, Wang, Y, Kumar, R, Ruvinsky, A, Vasker, I, Rivera, M.
Deposit date:2012-03-15
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the BfrB-Bfd Complex Reveals Protein-Protein Interactions Enabling Iron Release from Bacterioferritin.
J.Am.Chem.Soc., 134, 2012
4LAA
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BU of 4laa by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Wheeler, E.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B, Robinson, A.C.
Deposit date:2013-06-19
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
To be Published
4E55
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BU of 4e55 by Molmil
Crystal Structure of spacer removed cephalosporin acylase mutant
Descriptor: CALCIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Spacer shortened Cephalosporin acylase
To be Published
4LCJ
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BU of 4lcj by Molmil
CtBP2 in complex with substrate MTOB
Descriptor: 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E.
Deposit date:2013-06-21
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Febs Lett., 588, 2014
4E6P
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BU of 4e6p by Molmil
Crystal structure of a probable sorbitol dehydrogenase (Target PSI-012078) from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, Probable sorbitol dehydrogenase (L-iditol 2-dehydrogenase), SODIUM ION
Authors:Kumar, P.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-15
Release date:2012-04-11
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Crystal structure of a probable sorbitol dehydrogenase from Sinorhizobium meliloti 1021
to be published
4LEX
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BU of 4lex by Molmil
Unliganded crystal structure of mAb7
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN
Authors:Murray, J.M, Mukund, S.
Deposit date:2013-06-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4J68
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BU of 4j68 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
4E4E
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BU of 4e4e by Molmil
Crystal Structure of the Y34F mutant of Saccharomyces cerevisiae Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Sheng, Y, Cascio, D, Valentine, J.S.
Deposit date:2012-03-12
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Six-coordinate manganese(3+) in catalysis by yeast manganese superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E57
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BU of 4e57 by Molmil
Crystal Structure of spacer 6aa-shortened cephalosporin acylase mutant
Descriptor: CADMIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:spacer shortened Cephalosporin acylase
To be Published
4JUL
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BU of 4jul by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J.
Deposit date:2013-03-25
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7927 Å)
Cite:To be published
To be Published
4J5Z
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BU of 4j5z by Molmil
Crystal structure of Ribonuclease A in aqueous solution: One of twelve in MSCS set
Descriptor: Ribonuclease pancreatic, SULFATE ION
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
4J65
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BU of 4j65 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dimethylformamide: One of twelve in MSCS set
Descriptor: DIMETHYLFORMAMIDE, Ribonuclease pancreatic, SULFATE ION
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.958 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
4DI8
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BU of 4di8 by Molmil
CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 8.5
Descriptor: (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-oxo-2H-pyran-4,6-dicarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ...
Authors:Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C.
Deposit date:2012-01-11
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
4JE5
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BU of 4je5 by Molmil
Crystal structure of the aromatic aminotransferase Aro8, a putative alpha-aminoadipate aminotransferase in Saccharomyces cerevisiae
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic/aminoadipate aminotransferase 1, ...
Authors:Bulfer, S.L, Brunzelle, J.S, Trievel, R.C.
Deposit date:2013-02-26
Release date:2013-09-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Crystal structure of Saccharomyces cerevisiae Aro8, a putative alpha-aminoadipate aminotransferase.
Protein Sci., 22, 2013

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