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4XHC
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BU of 4xhc by Molmil
rhamnosidase from Klebsiella oxytoca with rhamnose bound
分子名称: Alpha-L-rhamnosidase, SULFATE ION, alpha-L-rhamnopyranose
著者O'Neill, E.O, Stevenson, C.E.M, Patterson, M.J, Rejzek, M, Chauvin, A, Lawson, D.M, Field, R.A.
登録日2015-01-05
公開日2015-04-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a novel two domain GH78 family alpha-rhamnosidase from Klebsiella oxytoca with rhamnose bound.
Proteins, 83, 2015
4XTJ
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BU of 4xtj by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition
分子名称: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
登録日2015-01-23
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
4TVM
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BU of 4tvm by Molmil
Structure of Citrate Synthase from Mycobacterium tuberculosis
分子名称: Citrate synthase, OXALOACETATE ION
著者Ferraris, D.M, Rizzi, M.
登録日2014-06-27
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis.
Proteins, 83, 2015
4Y16
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BU of 4y16 by Molmil
Crystal structure of the mCD1d/NC-aGC/iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Nemcovic, M.
登録日2015-02-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Lipid and Carbohydrate Modifications of alpha-Galactosylceramide Differently Influence Mouse and Human Type I Natural Killer T Cell Activation.
J.Biol.Chem., 290, 2015
4TVO
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BU of 4tvo by Molmil
Structure of Malate Dehydrogenase from Mycobacterium tuberculosis
分子名称: Malate dehydrogenase, SODIUM ION, SULFATE ION
著者Ferraris, D.M, Rizzi, M.
登録日2014-06-27
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis.
Proteins, 83, 2015
4U6H
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BU of 4u6h by Molmil
Vaccinia L1/M12B9-Fab complex
分子名称: Heavy chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Light chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Protein L1
著者Matho, M.H, Schlossman, A, Zajonc, D.M.
登録日2014-07-29
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein.
J.Virol., 88, 2014
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Dranow, D.M, Davies, D.R.
登録日2019-08-01
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6Q13
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2019-08-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
4UIJ
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BU of 4uij by Molmil
Crystal structure of the BTB domain of KCTD13
分子名称: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION
著者Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-03-30
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
4CHA
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BU of 4cha by Molmil
STRUCTURE OF ALPHA-*CHYMOTRYPSIN REFINED AT 1.68 ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN A
著者Tsukada, H, Blow, D.M.
登録日1984-11-26
公開日1985-04-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of alpha-chymotrypsin refined at 1.68 A resolution.
J.Mol.Biol., 184, 1985
6XQR
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BU of 6xqr by Molmil
OXA-48 bound by Compound 2.2
分子名称: Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-10
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6Y8O
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BU of 6y8o by Molmil
Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA gyrase subunit B, ...
著者Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
登録日2020-03-05
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6Y93
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BU of 6y93 by Molmil
Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS)
分子名称: Noc Binding Site (NBS), Nucleoid occlusion protein
著者Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K.
登録日2020-03-06
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
6Y8L
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BU of 6y8l by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ...
著者Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
登録日2020-03-05
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6Y8N
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BU of 6y8n by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with Redx03863
分子名称: 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ...
著者Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
登録日2020-03-05
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6YD9
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BU of 6yd9 by Molmil
Ecoli GyrB24 with inhibitor 16a
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
著者Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J.
登録日2020-03-20
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6Z1A
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BU of 6z1a by Molmil
Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M.
登録日2020-05-13
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds.
Nat Commun, 12, 2021
1XMZ
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BU of 1xmz by Molmil
Crystal structure of the dark state of kindling fluorescent protein kfp from anemonia sulcata
分子名称: BETA-MERCAPTOETHANOL, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
著者Quillin, M.L, Anstrom, D.M, Shu, X, O'Leary, S, Kallio, K, Chudakov, D.M, Remington, S.J.
登録日2004-10-04
公開日2005-04-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kindling Fluorescent Protein from Anemonia sulcata: Dark-State Structure at 1.38 Resolution
Biochemistry, 44, 2005
6SWG
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BU of 6swg by Molmil
Crystal structure of the TASOR-Periphilin core complex
分子名称: Periphilin-1, Protein TASOR, SULFATE ION
著者Prigozhin, D.M, Freund, S.M.V, Modis, Y.
登録日2019-09-20
公開日2020-08-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Periphilin self-association underpins epigenetic silencing by the HUSH complex.
Nucleic Acids Res., 48, 2020
5DO7
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BU of 5do7 by Molmil
Crystal Structure of the Human Sterol Transporter ABCG5/ABCG8
分子名称: ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8
著者Lee, J.-Y, Kinch, L.N, Borek, D.M, Urbatsch, I.L, Xie, X.-S, Grishin, N.V, Cohen, J.C, Otwinowski, Z, Hobbs, H.H, Rosenbaum, D.M.
登録日2015-09-10
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.93 Å)
主引用文献Crystal structure of the human sterol transporter ABCG5/ABCG8.
Nature, 533, 2016
6HQ8
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BU of 6hq8 by Molmil
Bacterial beta-1,3-oligosaccharide phosphorylase from GH149 with laminarihexaose bound at a surface site
分子名称: 1,2-ETHANEDIOL, BICINE, Beta-1,3-oligosaccharide phosphorylase, ...
著者Kuhaudomlarp, S, Stevenson, C.E.M, Lawson, D.M, Field, R.A.
登録日2018-09-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The structure of a GH149 beta-(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide-specific GH94 glucose-beta-(1 → 3)-glucose (laminaribiose) phosphorylase.
Proteins, 87, 2019
7M17
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BU of 7m17 by Molmil
SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1)
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A
著者Kern, D.M, Gerber, E.E, Brohawn, S.G.
登録日2021-03-12
公開日2021-03-24
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
7M19
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SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2)
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A
著者Kern, D.M, Gerber, E.E, Brohawn, S.G.
登録日2021-03-12
公開日2021-03-24
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
1FT6
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BU of 1ft6 by Molmil
REDUCED STATE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA
分子名称: CYTOCHROME C554, DITHIONITE, HEME C, ...
著者Iverson, T.M, Arciero, D.M, Hooper, A.B, Rees, D.C.
登録日2000-09-11
公開日2000-09-20
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of the oxidized and reduced states of cytochrome c554 from Nitrosomonas europaea.
J.Biol.Inorg.Chem., 6, 2001
6IWO
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BU of 6iwo by Molmil
Structural insight into probable lipid transfer mechanism of non-specific lipid transfer protein via intermediate structures in Solanum melongena
分子名称: GLYCEROL, MYRISTIC ACID, Non-specific lipid-transfer protein, ...
著者Madni, Z.K, Salunke, D.M.
登録日2018-12-05
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insights into the lipid transfer mechanism of a non-specific lipid transfer protein.
Plant J., 102, 2020

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