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3WSE
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BU of 3wse by Molmil
Reduced HcgD from Methanocaldococcus jannaschii
Descriptor: FE (II) ION, PHOSPHATE ION, Putative GTP cyclohydrolase 1 type 2
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-03-13
Release date:2014-08-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
4MIE
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BU of 4mie by Molmil
Crystal Structure of apo myo-inositol dehydrogenase from Lactobacillus casei
Descriptor: GLYCEROL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, SULFATE ION
Authors:Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J.
Deposit date:2013-08-30
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of apo myo-inositol dehydrogenase from Lactobacillus casei
To be Published
3WVS
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BU of 3wvs by Molmil
Crystal Structure of Cytochrome P450revI
Descriptor: (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Nagano, S, Takahashi, S, Osada, H, Shiro, Y.
Deposit date:2014-06-06
Release date:2014-10-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T.
J.Biol.Chem., 289, 2014
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
Descriptor: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
3WB2
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BU of 3wb2 by Molmil
HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis
Descriptor: 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2013-05-11
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
Descriptor: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
Authors:Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
Deposit date:2014-08-22
Release date:2016-02-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
4QRS
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BU of 4qrs by Molmil
Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-12-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
3SC3
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BU of 3sc3 by Molmil
Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution
Descriptor: Putative DNA replication regulator Hda, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-06
Release date:2011-07-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution
To be published
3W7K
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BU of 3w7k by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-066
Descriptor: 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-066
To be Published
3SGG
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BU of 3sgg by Molmil
Crystal structure of a putative hydrolase (BT_2193) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution
Descriptor: GLYCEROL, Hypothetical hydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of a Hypothetical hydrolase (BT_2193) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution
To be published
3W84
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BU of 3w84 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-101
Descriptor: 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-101
To be Published
3WGO
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BU of 3wgo by Molmil
Crystal structure of Q154L/T173I/R199M/P248S/H249/N276S mutant of meso-dapdh from Clostridium tetani E88
Descriptor: Meso-diaminopimelate dehydrogenase
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-08-06
Release date:2014-08-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Q154L/T173I/R199M/P248S/H249 mutant of meso-dapdh from Clostridium tetani E88
To be Published
3SNK
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BU of 3snk by Molmil
Crystal structure of a Response regulator CheY-like protein (mll6475) from MESORHIZOBIUM LOTI at 2.02 A resolution
Descriptor: Response regulator CheY-like protein, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of a Response regulator CheY-like protein (mll6475) from MESORHIZOBIUM LOTI at 2.02 A resolution
To be published
3SNX
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BU of 3snx by Molmil
Crystal structure of a PUTATIVE SUSD-LIKE CARBOHYDRATE BINDING PROTEIN (BT_1439) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.88 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PUTATIVE SUSD-LIKE CARBOHYDRATE BINDING PROTEIN
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a PUTATIVE SUSD-LIKE CARBOHYDRATE BINDING PROTEIN (BT_1439) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.88 A resolution
To be published
3WBG
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BU of 3wbg by Molmil
Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic acid
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart
Authors:Hirose, M, Sugiyama, S, Ishida, H, Niiyama, M, Matsuoka, D, Hara, T, Sato, F, Mizohata, E, Murakami, S, Inoue, T, Matsuoka, S, Murata, M.
Deposit date:2013-05-16
Release date:2013-10-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid
J.SYNCHROTRON RADIAT., 20, 2013
4M4N
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BU of 4m4n by Molmil
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
4M7H
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BU of 4m7h by Molmil
Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ...
Authors:Shrive, A.K, Greenhough, T.J, Holmskov, U.
Deposit date:2013-08-12
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein.
J.Biol.Chem., 289, 2014
4M8R
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BU of 4m8r by Molmil
Crystal structure of a DUF4784 family protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-08-13
Release date:2013-10-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a hypothetical protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 A resolution
To be published
3W76
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BU of 3w76 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-189
Descriptor: 5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-189
To be Published
3WME
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BU of 3wme by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter
Descriptor: ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3W7H
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BU of 3w7h by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-015
Descriptor: 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-015
To be Published
3W8K
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BU of 3w8k by Molmil
Crystal structure of class C beta-lactamase Mox-1
Descriptor: ACETATE ION, Beta-lactamase, ZINC ION
Authors:Shimizu-ibuka, A, Oguri, T, Furuyama, T, Ishii, Y.
Deposit date:2013-03-15
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Mox-1, a unique plasmid-mediated class C beta-lactamase with hydrolytic activity towards moxalactam
Antimicrob.Agents Chemother., 58, 2014
3WNT
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BU of 3wnt by Molmil
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ...
Authors:Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3WC4
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BU of 3wc4 by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Descriptor: ACETATE ION, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase
Authors:Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
Deposit date:2013-05-24
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of UDP-glucose:anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
J.SYNCHROTRON RADIAT., 20, 2013

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