1IB0
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8Q3M
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![BU of 8q3m by Molmil](/molmil-images/mine/8q3m) | Structure of Nucleosome Core with a Bound Kaposi Sarcoma Associated Herpesvirus LANA Peptide Having a Methionine to Ornithine Substitution | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. | Deposit date: | 2023-08-04 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
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1IE0
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![BU of 1ie0 by Molmil](/molmil-images/mine/1ie0) | CRYSTAL STRUCTURE OF LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, GLYCEROL, ZINC ION | Authors: | Hilgers, M.T, Ludwig, M.L. | Deposit date: | 2001-04-05 | Release date: | 2001-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site. Proc.Natl.Acad.Sci.USA, 98, 2001
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8Q36
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![BU of 8q36 by Molmil](/molmil-images/mine/8q36) | Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Foamy Virus GAG Peptide-Au[I] Compound) | Descriptor: | DNA (145-MER), GAG structural protein, Histone H2A type 1-B/E, ... | Authors: | De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. | Deposit date: | 2023-08-03 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
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8Q3X
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![BU of 8q3x by Molmil](/molmil-images/mine/8q3x) | Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound) | Descriptor: | 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ... | Authors: | De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. | Deposit date: | 2023-08-04 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
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1ILZ
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![BU of 1ilz by Molmil](/molmil-images/mine/1ilz) | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 6.1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside | Authors: | Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | Deposit date: | 2001-05-09 | Release date: | 2001-10-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad. Protein Sci., 10, 2001
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1ILD
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![BU of 1ild by Molmil](/molmil-images/mine/1ild) | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 4.6 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside | Authors: | Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | Deposit date: | 2001-05-08 | Release date: | 2001-10-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad. Protein Sci., 10, 2001
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1J73
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![BU of 1j73 by Molmil](/molmil-images/mine/1j73) | Crystal structure of an unstable insulin analog with native activity. | Descriptor: | ZINC ION, insulin a, insulin b | Authors: | Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A. | Deposit date: | 2001-05-15 | Release date: | 2001-05-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor. J.Mol.Biol., 315, 2002
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1IJH
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![BU of 1ijh by Molmil](/molmil-images/mine/1ijh) | CHOLESTEROL OXIDASE FROM STREPTOMYCES ASN485LEU MUTANT | Descriptor: | CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Vrielink, A, Lario, P.I. | Deposit date: | 2001-04-26 | Release date: | 2001-12-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The presence of a hydrogen bond between asparagine 485 and the pi system of FAD modulates the redox potential in the reaction catalyzed by cholesterol oxidase. Biochemistry, 40, 2001
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1IRB
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![BU of 1irb by Molmil](/molmil-images/mine/1irb) | CARBOXYLIC ESTER HYDROLASE | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Sundaralingam, M. | Deposit date: | 1997-08-13 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface. Biochemistry, 35, 1996
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1KAK
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![BU of 1kak by Molmil](/molmil-images/mine/1kak) | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, {[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID | Authors: | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | Deposit date: | 2001-11-02 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics. J.Med.Chem., 44, 2001
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1KAV
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![BU of 1kav by Molmil](/molmil-images/mine/1kav) | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID | Authors: | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | Deposit date: | 2001-11-03 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics. J.Med.Chem., 44, 2001
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1KAY
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![BU of 1kay by Molmil](/molmil-images/mine/1kay) | 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71A MUTANT | Descriptor: | 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | O'Brien, M.C, Flaherty, K.M, Mckay, D.B. | Deposit date: | 1996-04-15 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis. J.Biol.Chem., 271, 1996
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1KH7
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![BU of 1kh7 by Molmil](/molmil-images/mine/1kh7) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N) | Descriptor: | MAGNESIUM ION, SULFATE ION, ZINC ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KHL
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![BU of 1khl by Molmil](/molmil-images/mine/1khl) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE | Descriptor: | Alkaline Phosphatase, PHOSPHATE ION, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KVQ
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![BU of 1kvq by Molmil](/molmil-images/mine/1kvq) | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular structures of the S124A, S124T, and S124V site-directed mutants of UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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1JCA
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![BU of 1jca by Molmil](/molmil-images/mine/1jca) | Non-standard Design of Unstable Insulin Analogues with Enhanced Activity | Descriptor: | ZINC ION, insulin a, insulin b | Authors: | Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G. | Deposit date: | 2001-06-08 | Release date: | 2001-06-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor. J.Mol.Biol., 315, 2002
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1I5Q
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![BU of 1i5q by Molmil](/molmil-images/mine/1i5q) | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | Descriptor: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE | Authors: | Trehan, I, Beadle, B.M, Shoichet, B.K. | Deposit date: | 2001-02-28 | Release date: | 2001-06-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site. Biochemistry, 40, 2001
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1KLK
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![BU of 1klk by Molmil](/molmil-images/mine/1klk) | CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F. | Deposit date: | 2001-12-12 | Release date: | 2002-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH. Acta Crystallogr.,Sect.D, 58, 2002
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1KD1
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![BU of 1kd1 by Molmil](/molmil-images/mine/1kd1) | Co-crystal Structure of Spiramycin bound to the 50S Ribosomal Subunit of Haloarcula marismortui | Descriptor: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | Authors: | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A. | Deposit date: | 2001-11-12 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol.Cell, 10, 2002
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1KMK
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1KMS
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![BU of 1kms by Molmil](/molmil-images/mine/1kms) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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1KVS
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![BU of 1kvs by Molmil](/molmil-images/mine/1kvs) | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular structures of the S124A, S124T, and S124V site-directed mutants of UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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1KVR
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![BU of 1kvr by Molmil](/molmil-images/mine/1kvr) | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular structures of the S124A, S124T, and S124V site-directed mutants of UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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1KHN
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![BU of 1khn by Molmil](/molmil-images/mine/1khn) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM | Descriptor: | Alkaline phosphatase, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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