6OXS
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![BU of 6oxs by Molmil](/molmil-images/mine/6oxs) | HIV-1 Protease NL4-3 WT in Complex with LR-76 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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5Q0I
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![BU of 5q0i by Molmil](/molmil-images/mine/5q0i) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0Q
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![BU of 5q0q by Molmil](/molmil-images/mine/5q0q) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q13
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![BU of 5q13 by Molmil](/molmil-images/mine/5q13) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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3C19
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![BU of 3c19 by Molmil](/molmil-images/mine/3c19) | Crystal structure of protein MK0293 from Methanopyrus kandleri AV19 | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein MK0293 | Authors: | Patskovsky, Y, Romero, R, Bonanno, J.B, Malashkevich, V, Dickey, M, Chang, S, Koss, J, Bain, K, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-22 | Release date: | 2008-02-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of protein MK0293 from Methanopyrus kandleri AV19. To be Published
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2KUC
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![BU of 2kuc by Molmil](/molmil-images/mine/2kuc) | Solution Structure of a putative disulphide-isomerase from Bacteroides thetaiotaomicron | Descriptor: | Putative disulphide-isomerase | Authors: | Harris, R, Foti, R, Seidel, R.D, Bonanno, J.B, Freeman, J, Bain, K.T, Sauder, J.M, Burley, S.K, Girvin, M.E, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-17 | Release date: | 2010-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of a putative disulphide-isomerase from Bacteroides thetaiotaomicron To be Published
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3C6F
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![BU of 3c6f by Molmil](/molmil-images/mine/3c6f) | Crystal structure of protein Bsu07140 from Bacillus subtilis | Descriptor: | GLYCEROL, YetF protein | Authors: | Patskovsky, Y, Min, T, Zhang, A, Adams, J, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-04 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of protein Bsu07140 from Bacillus subtilis. To be Published
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3C97
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![BU of 3c97 by Molmil](/molmil-images/mine/3c97) | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae | Descriptor: | Signal transduction histidine kinase | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-15 | Release date: | 2008-03-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae. To be Published
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5Q0M
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![BU of 5q0m by Molmil](/molmil-images/mine/5q0m) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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2KV4
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![BU of 2kv4 by Molmil](/molmil-images/mine/2kv4) | EGF | Descriptor: | Epidermal growth factor | Authors: | Huang, H.W, Mohan, S.K, Yu, C. | Deposit date: | 2010-03-08 | Release date: | 2011-02-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The NMR solution structure of human epidermal growth factor (hEGF) at physiological pH and its interactions with suramin Biochem.Biophys.Res.Commun., 402, 2010
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5Q0W
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![BU of 5q0w by Molmil](/molmil-images/mine/5q0w) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ... | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q12
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![BU of 5q12 by Molmil](/molmil-images/mine/5q12) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q1G
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![BU of 5q1g by Molmil](/molmil-images/mine/5q1g) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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3BQT
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![BU of 3bqt by Molmil](/molmil-images/mine/3bqt) | |
3BY5
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![BU of 3by5 by Molmil](/molmil-images/mine/3by5) | Crystal structure of cobalamin biosynthesis protein chiG from Agrobacterium tumefaciens str. C58 | Descriptor: | Cobalamin biosynthesis protein, SULFATE ION | Authors: | Patskovsky, Y, Bonanno, J.B, Sojitra, S, Rutter, M, Iizuka, M, Maletic, M, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-15 | Release date: | 2008-01-22 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of cobalamin biosynthesis protein from Agrobacterium tumefaciens str. C58. To be Published
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3BZW
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![BU of 3bzw by Molmil](/molmil-images/mine/3bzw) | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron | Descriptor: | ACETATE ION, Putative lipase, SULFATE ION | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-18 | Release date: | 2008-02-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron. To be Published
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3C3M
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![BU of 3c3m by Molmil](/molmil-images/mine/3c3m) | Crystal structure of the N-terminal domain of response regulator receiver protein from Methanoculleus marisnigri JR1 | Descriptor: | GLYCEROL, Response regulator receiver protein | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Dickey, M, Chang, S, Groshong, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-28 | Release date: | 2008-02-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the N-terminal domain of response regulator receiver protein from Methanoculleus marisnigri JR1. To be Published
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6UAK
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![BU of 6uak by Molmil](/molmil-images/mine/6uak) | LahSb - C-terminal methyltransferase involved in RiPP biosynthesis | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SAM dependent methyltransferase LahSB | Authors: | Nair, S.K, Estrada, P. | Deposit date: | 2019-09-10 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Characterization of a Dehydratase and Methyltransferase in the Biosynthesis of Ribosomally Synthesized and Post-translationally Modified Peptides in Lachnospiraceae. Chembiochem, 21, 2020
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2HDF
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![BU of 2hdf by Molmil](/molmil-images/mine/2hdf) | |
6TYQ
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![BU of 6tyq by Molmil](/molmil-images/mine/6tyq) | Salmonella Typhi PltB Homopentamer with Neu-5NAc-9OAc-alpha-2-6-Gal-beta-1-4-GlcNAc Glycans | Descriptor: | 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertussis-like toxin subunit B | Authors: | Nguyen, T, Milano, S.K, Yang, Y.A, Song, J. | Deposit date: | 2019-08-09 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication. Plos Pathog., 16, 2020
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3CBR
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![BU of 3cbr by Molmil](/molmil-images/mine/3cbr) | Crystal structure of human Transthyretin (TTR) at pH3.5 | Descriptor: | Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J. | Deposit date: | 2008-02-22 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into pH-induced conformational changes within the native human transthyretin tetramer. J.Mol.Biol., 382, 2008
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3BT5
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![BU of 3bt5 by Molmil](/molmil-images/mine/3bt5) | Crystal structure of DUF305 fragment from Deinococcus radiodurans | Descriptor: | CHLORIDE ION, Uncharacterized protein DUF305 | Authors: | Ramagopal, U.A, Patskovsky, Y, Rutter, M, Toro, R, Bain, K, Meyer, A.J, Powell, A, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-27 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of DUF305 fragment from Deinococcus radiodurans. To be Published
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3BMA
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![BU of 3bma by Molmil](/molmil-images/mine/3bma) | Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6 | Descriptor: | D-alanyl-lipoteichoic acid synthetase, GLYCEROL, SULFATE ION | Authors: | Patskovsky, Y, Sridhar, V, Bonanno, J.B, Smith, D, Rutter, M, Iizuka, M, Koss, J, Bain, K, Gheyi, T, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-12 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal Structure of probable D-Alanyl-Lipoteichoic Acid Synthetase from Streptococcus pneumoniae. To be Published
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6TYN
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![BU of 6tyn by Molmil](/molmil-images/mine/6tyn) | Salmonella Typhi PltB Homopentamer with Neu-5NAc-9OAc-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans | Descriptor: | 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertussis like toxin subunit B | Authors: | Nguyen, T, Milano, S.K, Yang, Y.A, Song, J. | Deposit date: | 2019-08-09 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication. Plos Pathog., 16, 2020
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3BSM
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![BU of 3bsm by Molmil](/molmil-images/mine/3bsm) | Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens | Descriptor: | Mandelate racemase/muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-25 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens. To be Published
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