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5O2F
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Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
分子名称: SULFATE ION, TNFRSF25 death domain
著者Yin, X, Jin, T.
登録日2017-09-19
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
6IN7
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BU of 6in7 by Molmil
Crystal structure of AlgU in complex with MucA(cyto)
分子名称: NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
5O2E
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BU of 5o2e by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement
分子名称: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
6JOY
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BU of 6joy by Molmil
The X-ray Crystallographic Structure of Branching Enzyme from Rhodothermus obamensis STB05
分子名称: 1,4-alpha-glucan branching enzyme GlgB
著者Li, Z.F, Ban, X.F, Jiang, H.M, Wang, Z, Jin, T.C, Li, C.M, Gu, Z.B.
登録日2019-03-25
公開日2020-03-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Flexible Loop in Carbohydrate-Binding Module 48 Allosterically Modulates Substrate Binding of the 1,4-alpha-Glucan Branching Enzyme.
J.Agric.Food Chem., 69, 2021
6H34
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BU of 6h34 by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
分子名称: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
分子名称: Beta-lactamase
著者Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
登録日2017-07-11
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6JNA
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BU of 6jna by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
6JDP
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BU of 6jdp by Molmil
the imm52 family protein TsiT (PA3908) from Pseudomonas aeruginosa
分子名称: Imm52 family protein, PHOSPHATE ION, SODIUM ION
著者She, Z.
登録日2019-02-02
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural characterization of the Imm52 family protein TsiT in Pseudomonas aeruginosa.
Protein Sci., 28, 2019
6JN9
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BU of 6jn9 by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
6JNC
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BU of 6jnc by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
6H2Z
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BU of 6h2z by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
分子名称: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6H33
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BU of 6h33 by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide.
分子名称: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
1IE7
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BU of 1ie7 by Molmil
PHOSPHATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
分子名称: NICKEL (II) ION, PHOSPHATE ION, UREASE ALPHA SUBUNIT, ...
著者Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
登録日2001-04-09
公開日2001-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based rationalization of urease inhibition by phosphate: novel insights into the enzyme mechanism.
J.Biol.Inorg.Chem., 6, 2001
5Z09
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BU of 5z09 by Molmil
ST0452(Y97N)-UTP binding form
分子名称: Dual sugar-1-phosphate nucleotidylyltransferase, URIDINE 5'-TRIPHOSPHATE
著者Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y.
登録日2017-12-19
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Improvement of ST0452N-Acetylglucosamine-1-Phosphate Uridyltransferase Activity by the Cooperative Effect of Two Single Mutations Identified through Structure-Based Protein Engineering
Appl. Environ. Microbiol., 84, 2018
6JND
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BU of 6jnd by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
6H38
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BU of 6h38 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
分子名称: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6H36
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BU of 6h36 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
分子名称: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
5K59
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BU of 5k59 by Molmil
Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E.
登録日2016-05-23
公開日2016-08-10
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
6H37
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BU of 6h37 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide
分子名称: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
著者Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日2018-07-17
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
1LKA
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BU of 1lka by Molmil
Porcine Pancreatic Elastase/Ca-Complex
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A.
登録日2002-04-24
公開日2002-08-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal binding to porcine pancreatic elastase: calcium or not calcium.
Acta Crystallogr.,Sect.D, 58, 2002
1LKB
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BU of 1lkb by Molmil
Porcine Pancreatic Elastase/Na-Complex
分子名称: CHLORIDE ION, Elastase 1, SODIUM ION, ...
著者Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A.
登録日2002-04-24
公開日2002-08-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal binding to porcine pancreatic elastase: calcium or not calcium.
Acta Crystallogr.,Sect.D, 58, 2002
6K35
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BU of 6k35 by Molmil
Crystal structure of GH20 exo beta-N-acetylglucosaminidase from Vibrio harveyi in complex with NAG-thiazoline
分子名称: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-N-acetylglucosaminidase Nag2
著者Meekrathok, P, Stubbs, K.A, Bulmer, D.M, van den Berg, B, Suginta, W.
登録日2019-05-16
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献NAG-thiazoline is a potent inhibitor of the Vibrio campbellii GH20 beta-N-Acetylglucosaminidase.
Febs J., 287, 2020
5OQ1
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BU of 5oq1 by Molmil
Crystal structure of Serratia marcescens ChiX (used as MR model for superior PDB 5OPZ)
分子名称: CHLORIDE ION, ChiX, ZINC ION
著者Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F.
登録日2017-08-10
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens.
Biochem. J., 475, 2018
2KQO
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BU of 2kqo by Molmil
A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation
分子名称: beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Sattelle, B.M, Shakeri, J, Roberts, I.S, Almond, A.
登録日2009-11-12
公開日2009-12-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation.
Carbohydr.Res., 345, 2010

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