2MWZ
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4IRK
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![BU of 4irk by Molmil](/molmil-images/mine/4irk) | structure of Polymerase-DNA complex, dna | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*TP*A*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3'), DNA (5'-D(*TP*CP*TP*AP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), ... | Authors: | Nair, D.T, Sharma, A. | Deposit date: | 2013-01-14 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A strategically located serine residue is critical for the mutator activity of DNA polymerase IV from Escherichia coli. Nucleic Acids Res., 41, 2013
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3A7A
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![BU of 3a7a by Molmil](/molmil-images/mine/3a7a) | Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ... | Authors: | Fujiwara, K, Hosaka, H, Nakagawa, A. | Deposit date: | 2009-09-20 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
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2ISH
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![BU of 2ish by Molmil](/molmil-images/mine/2ish) | Botulinum Neurotoxin A Light Chain WT Crystal Form C | Descriptor: | Neurotoxin BoNT/A, ZINC ION | Authors: | Brunger, A.T, Stegmann, C.M. | Deposit date: | 2006-10-17 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons. J.Biol.Chem., 282, 2007
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1CCI
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![BU of 1cci by Molmil](/molmil-images/mine/1cci) | HOW FLEXIBLE ARE PROTEINS? TRAPPING OF A FLEXIBLE LOOP | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E. | Deposit date: | 1996-12-18 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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2IDN
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![BU of 2idn by Molmil](/molmil-images/mine/2idn) | NMR structure of a new modified Thrombin Binding Aptamer containing a 5'-5' inversion of polarity site | Descriptor: | 3'-D(P*GP*G*T)-5'-5'-D(P*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3' | Authors: | Randazzo, A, Martino, L, Virno, A, Mayol, L, Giancola, C. | Deposit date: | 2006-09-15 | Release date: | 2007-01-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A new modified thrombin binding aptamer containing a 5'-5' inversion of polarity site. Nucleic Acids Res., 34, 2006
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1C0C
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1RZT
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![BU of 1rzt by Molmil](/molmil-images/mine/1rzt) | Crystal structure of DNA polymerase lambda complexed with a two nucleotide gap DNA molecule | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*G)-3', ... | Authors: | Pedersen, L.C, Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Blanco, L, Kunkel, T.A. | Deposit date: | 2003-12-29 | Release date: | 2004-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural solution for the DNA polymerase lambda-dependent repair of DNA gaps with minimal homology. Mol.Cell, 13, 2004
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1S1J
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![BU of 1s1j by Molmil](/molmil-images/mine/1s1j) | Crystal Structure of ZipA in complex with indoloquinolizin inhibitor 1 | Descriptor: | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one, Cell division protein zipA | Authors: | Jenning, L.D, Foreman, K.W, Rush III, T.S, Tsao, D.H, Mosyak, L, Li, Y, Sukhdeo, M.N, Ding, W, Dushin, E.G, Kenney, C.H, Moghazeh, S.L, Peterson, P.J, Ruzin, A.V, Tuckman, M, Sutherland, A.G. | Deposit date: | 2004-01-06 | Release date: | 2004-05-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction Bioorg.Med.Chem.Lett., 14, 2004
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4JPG
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![BU of 4jpg by Molmil](/molmil-images/mine/4jpg) | 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, Pyruvate kinase isozymes M1/M2 | Authors: | Greasley, S.E, Hickey, M, Phonephaly, H, Cronin, C. | Deposit date: | 2013-03-19 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. Bioorg.Med.Chem.Lett., 23, 2013
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1YMW
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![BU of 1ymw by Molmil](/molmil-images/mine/1ymw) | The study of reductive unfolding pathways of RNase A (Y92G mutant) | Descriptor: | Ribonuclease pancreatic | Authors: | Xu, G, Narayan, M, Kurinov, I, Ripoll, D.R, Welker, E, Khalili, M, Ealick, S.E, Scheraga, H.A. | Deposit date: | 2005-01-21 | Release date: | 2006-01-31 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A localized specific interaction alters the unfolding pathways of structural homologues. J.Am.Chem.Soc., 128, 2006
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1YMR
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![BU of 1ymr by Molmil](/molmil-images/mine/1ymr) | The study of reductive unfolding pathways of RNase A (Y92A mutant) | Descriptor: | Ribonuclease pancreatic | Authors: | Xu, G, Narayan, M, Kurinov, I, Ripoll, D.R, Welker, E, Khalili, M, Ealick, S.E, Scheraga, H.A. | Deposit date: | 2005-01-21 | Release date: | 2006-01-31 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A localized specific interaction alters the unfolding pathways of structural homologues. J.Am.Chem.Soc., 128, 2006
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1YMN
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![BU of 1ymn by Molmil](/molmil-images/mine/1ymn) | The study of reductive unfolding pathways of RNase A (Y92L mutant) | Descriptor: | Ribonuclease pancreatic | Authors: | Xu, G, Narayan, M, Kurinov, I, Ripoll, D.R, Welker, E, Khalili, M, Ealick, S.E, Scheraga, H.A. | Deposit date: | 2005-01-21 | Release date: | 2006-01-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A localized specific interaction alters the unfolding pathways of structural homologues. J.Am.Chem.Soc., 128, 2006
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1B2Z
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![BU of 1b2z by Molmil](/molmil-images/mine/1b2z) | DELETION OF A BURIED SALT BRIDGE IN BARNASE | Descriptor: | PROTEIN (BARNASE), ZINC ION | Authors: | Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
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1BCJ
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1ARL
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![BU of 1arl by Molmil](/molmil-images/mine/1arl) | CARBOXYPEPTIDASE A WITH ZN REMOVED | Descriptor: | APO-CARBOXYPEPTIDASE A=ALPHA= (COX) | Authors: | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | Deposit date: | 1994-11-22 | Release date: | 1996-08-01 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms. Acta Crystallogr.,Sect.D, 54, 1998
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2BXS
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![BU of 2bxs by Molmil](/molmil-images/mine/2bxs) | Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | Authors: | De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A. | Deposit date: | 2005-07-27 | Release date: | 2005-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B Proc.Natl.Acad.Sci.USA, 102, 2005
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1RD6
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![BU of 1rd6 by Molmil](/molmil-images/mine/1rd6) | Crystal Structure of S. Marcescens Chitinase A Mutant W167A | Descriptor: | Chitinase A | Authors: | Aronson, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L. | Deposit date: | 2003-11-05 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutation of a conserved tryptophan in the chitin-binding cleft of Serratia marcescens chitinase A enhances transglycosylation. Biosci.Biotechnol.Biochem., 70, 2006
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1B2V
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![BU of 1b2v by Molmil](/molmil-images/mine/1b2v) | HEME-BINDING PROTEIN A | Descriptor: | CALCIUM ION, PROTEIN (HEME-BINDING PROTEIN A), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Arnoux, P, Haser, R, Izadi, N, Lecroisey, A, Wandersma, N.C, Czjzek, M. | Deposit date: | 1998-12-01 | Release date: | 1999-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of HasA, a hemophore secreted by Serratia marcescens. Nat.Struct.Biol., 6, 1999
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1KWJ
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![BU of 1kwj by Molmil](/molmil-images/mine/1kwj) | solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans, minimized average structure | Descriptor: | HEME C, cytochrome c7 | Authors: | Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A. | Deposit date: | 2002-01-29 | Release date: | 2002-02-06 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications. J.Biomol.NMR, 22, 2002
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1XKK
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![BU of 1xkk by Molmil](/molmil-images/mine/1xkk) | EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 | Descriptor: | Epidermal growth factor receptor, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, PHOSPHATE ION | Authors: | Wood, E.R, Truesdale, A.T, McDonald, O.B, Yuan, D, Hassell, A, Dickerson, S.H, Ellis, B, Pennisi, C, Horne, E, Lackey, K, Alligood, K.J, Rusnak, D.W, Gilmer, T.M, Shewchuk, L.M. | Deposit date: | 2004-09-29 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res., 64, 2004
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3B8D
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![BU of 3b8d by Molmil](/molmil-images/mine/3b8d) | Fructose 1,6-bisphosphate aldolase from rabbit muscle | Descriptor: | Fructose-bisphosphate aldolase A, SULFATE ION | Authors: | Maurady, A, Sygusch, J. | Deposit date: | 2007-11-01 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A conserved glutamate residue exhibits multifunctional catalytic roles in D-fructose-1,6-bisphosphate aldolases. J.Biol.Chem., 277, 2002
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3B9D
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![BU of 3b9d by Molmil](/molmil-images/mine/3b9d) | Crystal structure of Vibrio harveyi chitinase A complexed with pentasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | Authors: | Songsiriritthigul, C, Aguda, A.H, Robinson, R.C, Suginta, W. | Deposit date: | 2007-11-05 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism J.Struct.Biol., 162, 2008
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4NQM
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![BU of 4nqm by Molmil](/molmil-images/mine/4nqm) | Crystal Structure of the first bromodomain of human BRD4 in complex with a triazolo-phthalazine ligand | Descriptor: | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 4, SUCCINIC ACID | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-25 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with a triazolo-phthalazine ligand To be Published
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1L3Q
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![BU of 1l3q by Molmil](/molmil-images/mine/1l3q) | H. rufescens abalone shell Lustrin A consensus repeat, FPGKNVNCTSGE, pH 7.4, 1-H NMR structure | Descriptor: | Lustrin A | Authors: | Evans, J.S, Wustman, B.A, Zhang, B, Morse, D.E. | Deposit date: | 2002-02-28 | Release date: | 2002-03-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Model peptide studies of sequence regions in the elastomeric biomineralization protein, Lustrin A. I. The C-domain consensus-PG-, -NVNCT-motif Biopolymers, 63, 2002
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