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3H2C
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BU of 3h2c by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1H-imidazo[4,5-d]pyridazine-4,7-diamine, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2N
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BU of 3h2n by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2A
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BU of 3h2a by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H24
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BU of 3h24 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2M
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BU of 3h2m by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H26
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BU of 3h26 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2F
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BU of 3h2f by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3SB7
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BU of 3sb7 by Molmil
Cu-mediated Trimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization
分子名称: COPPER (II) ION, GLYCEROL, Lysozyme
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SB9
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BU of 3sb9 by Molmil
Cu-mediated Dimer of T4 Lysozyme R76H/R80H by Synthetic Symmetrization
分子名称: COPPER (II) ION, FORMIC ACID, Lysozyme
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SB8
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BU of 3sb8 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H by Synthetic Symmetrization
分子名称: COPPER (II) ION, Lysozyme
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SB5
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BU of 3sb5 by Molmil
Zn-mediated Trimer of T4 Lysozyme R125C/E128C by Synthetic Symmetrization
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme, ...
著者Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
分子名称: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
著者Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S.
登録日2006-03-13
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
7KZI
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BU of 7kzi by Molmil
Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, ...
著者Wang, W, Hendrickson, W.A.
登録日2020-12-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
3SBA
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BU of 3sba by Molmil
Zn-mediated Hexamer of T4 Lysozyme R76H/R80H by Synthetic Symmetrization
分子名称: CHLORIDE ION, Lysozyme, ZINC ION
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SB6
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BU of 3sb6 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization
分子名称: CHLORIDE ION, COPPER (II) ION, Lysozyme
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
2KP8
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BU of 2kp8 by Molmil
Ligand bound to a model peptide that mimics the open fusogenic form
分子名称: 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide
著者Olejniczak, E.T.
登録日2009-10-09
公開日2010-01-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010
5E7N
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BU of 5e7n by Molmil
Crystal Structure of RPA70N in complex with VU0085636
分子名称: 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit
著者Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J.
登録日2015-10-12
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
3SBB
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BU of 3sbb by Molmil
Disulphide-mediated Tetramer of T4 Lysozyme R76C/R80C by Synthetic Symmetrization
分子名称: CHLORIDE ION, Lysozyme
著者Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (1.434 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
2Y7S
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BU of 2y7s by Molmil
Structure of a designed meningococcal antigen (factor H binding protein, mutant G1) inducing broad protective immunity
分子名称: FACTOR H BINDING PROTEIN
著者Malito, E, Spraggon, G, Bottomley, M.J.
登録日2011-02-01
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of a Meningococcal Antigen Inducing Broad Protective Immunity.
Sci.Transl.Med, 3, 2011
2XYU
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BU of 2xyu by Molmil
Crystal structure of EphA4 kinase domain in complex with VUF 12058
分子名称: 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL
著者Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G.
登録日2010-11-19
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase.
Eur.J.Med.Chem., 47, 2012
6DAN
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BU of 6dan by Molmil
PhdJ WT 2 Angstroms resolution
分子名称: CHLORIDE ION, PhdJ
著者Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P.
登録日2018-05-01
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
6DAO
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BU of 6dao by Molmil
NahE WT selenomethionine
分子名称: Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase
著者Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P.
登録日2018-05-01
公開日2019-05-08
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
分子名称: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
著者Angeli, A, Ferraroni, M.
登録日2021-11-19
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.223 Å)
主引用文献Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
4J3J
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BU of 4j3j by Molmil
Crystal Structure of DPP-IV with Compound C3
分子名称: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
著者Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
登録日2013-02-05
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013

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件を2024-08-14に公開中

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