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3H2C
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BU of 3h2c by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 1H-imidazo[4,5-d]pyridazine-4,7-diamine, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: COPPER (II) ION, GLYCEROL, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: COPPER (II) ION, FORMIC ACID, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: COPPER (II) ION, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme, ...
Authors:Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.46 Å)
Cite: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
Descriptor: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
Authors: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.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, ...
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-12-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: CHLORIDE ION, Lysozyme, ZINC ION
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: CHLORIDE ION, COPPER (II) ION, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide
Authors:Olejniczak, E.T.
Deposit date:2009-10-09
Release date:2010-01-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit
Authors: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.
Deposit date:2015-10-12
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite: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
Descriptor: CHLORIDE ION, Lysozyme
Authors:Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.434 Å)
Cite: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
Descriptor: FACTOR H BINDING PROTEIN
Authors:Malito, E, Spraggon, G, Bottomley, M.J.
Deposit date:2011-02-01
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL
Authors:Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G.
Deposit date:2010-11-19
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.117 Å)
Cite: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
Descriptor: CHLORIDE ION, PhdJ
Authors:Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P.
Deposit date:2018-05-01
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.047 Å)
Cite: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
Descriptor: Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase
Authors:Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P.
Deposit date:2018-05-01
Release date:2019-05-08
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.939 Å)
Cite: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)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite: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
Descriptor: 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
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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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數據於2024-08-14公開中

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