5O04
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1BH5
| HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT | Descriptor: | LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Jones, T.A. | Deposit date: | 1998-06-13 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I. J.Biol.Chem., 273, 1998
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5O05
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5O02
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5O03
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5OMN
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5OMM
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1FI1
| FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | Deposit date: | 2000-08-03 | Release date: | 2001-08-29 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA. Structure, 9, 2001
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1BDN
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4UX6
| The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | Deposit date: | 2014-08-19 | Release date: | 2014-10-08 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
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1B8Y
| X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ... | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | Deposit date: | 1999-02-03 | Release date: | 1999-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci., 8, 1999
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1BXK
| DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE) | Authors: | Thoden, J.B, Hegeman, A.D, Frey, P.A, Holden, H.M. | Deposit date: | 1998-10-05 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Structure of Dtdp-Glucose 4,6-Dehydratase from E. Coli Protein Sci.
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4WIB
| Crystal structure of Magnesium transporter MgtE | Descriptor: | CALCIUM ION, Magnesium transporter MgtE | Authors: | Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O. | Deposit date: | 2014-09-25 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE Nat Commun, 5, 2014
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4WEJ
| Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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1BWS
| CRYSTAL STRUCTURE OF GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE FROM ESCHERICHIA COLI A KEY ENZYME IN THE BIOSYNTHESIS OF GDP-L-FUCOSE | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE) | Authors: | Rizzi, M, Tonetti, M, Flora, A.D, Bolognesi, M. | Deposit date: | 1998-09-25 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | GDP-4-keto-6-deoxy-D-mannose epimerase/reductase from Escherichia coli, a key enzyme in the biosynthesis of GDP-L-fucose, displays the structural characteristics of the RED protein homology superfamily. Structure, 6, 1998
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4WHA
| Lipoxygenase-1 (soybean) L546A/L754A mutant | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FE (III) ION, ... | Authors: | Scouras, A.D, Carr, C.A.M, Hu, S, Klinman, J.P. | Deposit date: | 2014-09-21 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation. J.Am.Chem.Soc., 136, 2014
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4WEL
| Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176 | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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4WEK
| Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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1CAQ
| X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY | Descriptor: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ... | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | Deposit date: | 1999-02-23 | Release date: | 1999-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci., 8, 1999
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8OV6
| Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | Deposit date: | 2023-04-25 | Release date: | 2023-05-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Targeted protein degradation via intramolecular bivalent glues. Nature, 627, 2024
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1COL
| REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | COLICIN A | Authors: | Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D. | Deposit date: | 1991-07-06 | Release date: | 1992-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Refined structure of the pore-forming domain of colicin A at 2.4 A resolution. J.Mol.Biol., 224, 1992
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1ETF
| REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | REV PEPTIDE, REV RESPONSE ELEMENT RNA | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | Deposit date: | 1996-08-28 | Release date: | 1997-03-12 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex. Science, 273, 1996
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1ETG
| REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES | Descriptor: | REV PEPTIDE, REV RESPONSIVE ELEMENT RNA | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | Deposit date: | 1996-08-28 | Release date: | 1997-03-12 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex. Science, 273, 1996
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2ZD1
| Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-11-16 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2ZE2
| Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-12-05 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
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