6MYY
 
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-02 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | Descriptor: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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6N57
 | | Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation I | | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | Deposit date: | 2018-11-21 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
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5U50
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5UCO
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1JWL
 | | Structure of the Dimeric lac Repressor/Operator O1/ONPF Complex | | Descriptor: | 2-nitrophenyl beta-D-fucopyranoside, 5'-D(*AP*GP*AP*AP*T*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP*AP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*TP*GP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3', ... | | Authors: | Bell, C.E, Lewis, M. | | Deposit date: | 2001-09-04 | | Release date: | 2001-10-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystallographic analysis of Lac repressor bound to natural operator O1.
J.Mol.Biol., 312, 2001
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1JYF
 | | Structure of the Dimeric Lac Repressor with an 11-residue C-terminal Deletion. | | Descriptor: | GLYCEROL, Lactose Operon Repressor | | Authors: | Bell, C.E, Barry, J, Matthews, K.S, Lewis, M. | | Deposit date: | 2001-09-12 | | Release date: | 2001-10-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a variant of lac repressor with increased thermostability and decreased affinity for operator.
J.Mol.Biol., 313, 2001
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5TZM
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1JYO
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5UC5
 | | Chalcone synthase from Malus domestica | | Descriptor: | CHS2 chalcone synthase | | Authors: | Stewart Jr, C.E, Noel, J.P. | | Deposit date: | 2016-12-21 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Molecular architectures of benzoic acid-specific type III polyketide synthases.
Acta Crystallogr D Struct Biol, 73, 2017
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5UFX
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074 | | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5503 Å) | | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
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1K6X
 | | Crystal structure of Nmra, a negative transcriptional regulator in complex with NAD at 1.5 A resolution (Trigonal form) | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NmrA | | Authors: | Stammers, D.K, Ren, J, Leslie, K, Nichols, C.E, Lamb, H.K, Cocklin, S, Dodds, A, Hawkins, A.R. | | Deposit date: | 2001-10-17 | | Release date: | 2002-02-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of the negative transcriptional regulator NmrA reveals a structural superfamily which includes the short-chain dehydrogenase/reductases.
EMBO J., 20, 2002
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5U4Z
 | | Crystal structure of citrus MAF1 in space group P 31 2 1 | | Descriptor: | Repressor of RNA polymerase III transcription, SULFATE ION | | Authors: | Soprano, A.S, Giuseppe, P.O, Nascimento, A.F.Z, Benedetti, C.E, Murakami, M.T. | | Deposit date: | 2016-12-06 | | Release date: | 2017-07-19 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of citrus MAF1 in space group P 31 2 1
To Be Published
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5UFW
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.583 Å) | | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
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1K6J
 | | Crystal structure of Nmra, a negative transcriptional regulator (Monoclinic form) | | Descriptor: | CHLORIDE ION, NmrA | | Authors: | Stammers, D.K, Ren, J, Leslie, K, Nichols, C.E, Lamb, H.K, Cocklin, S, Dodds, A, Hawkins, A.R. | | Deposit date: | 2001-10-16 | | Release date: | 2002-02-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of the negative transcriptional regulator NmrA reveals a structural superfamily which includes the short-chain dehydrogenase/reductases.
EMBO J., 20, 2001
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1K6I
 | | Crystal structure of Nmra, a negative transcriptional regulator (Trigonal form) | | Descriptor: | CHLORIDE ION, NmrA | | Authors: | Stammers, D.K, Ren, J, Leslie, K, Nichols, C.E, Lamb, H.K, Cocklin, S, Dodds, A, Hawkins, A.R. | | Deposit date: | 2001-10-16 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of the negative transcriptional regulator NmrA reveals a structural superfamily which includes the short-chain dehydrogenase/reductases.
EMBO J., 20, 2001
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1KCA
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2WF9
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphate, and Beryllium trifluoride, crystal form 2 | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Near Attack Conformers Dominate Beta-Phosphoglucomutase Complexes Where Geometry and Charge Distribution Reflect Those of Substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7BEW
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7BEX
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2VNZ
 | | Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A. | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
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2W48
 | | Crystal structure of the Full-length Sorbitol Operon Regulator SorC from Klebsiella pneumoniae | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | de Sanctis, D, McVey, C.E, Enguita, F.J, Carrondo, M.A. | | Deposit date: | 2008-11-21 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of the Full-Length Sorbitol Operon Regulator Sorc from Klebsiella Pneumoniae: Structural Evidence for a Novel Transcriptional Regulation Mechanism.
J.Mol.Biol., 387, 2009
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2WF8
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphate, Glucose-1-phosphate and Beryllium trifluoride | | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Near attack conformers dominate beta-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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6MVA
 | | LDHA structure in complex with inhibitor 14 | | Descriptor: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
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6N58
 | | Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation II | | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | Deposit date: | 2018-11-21 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
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