4TX4
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![BU of 4tx4 by Molmil](/molmil-images/mine/4tx4) | Crystal Structure of a Single-Domain Cysteine Protease Inhibitor from Cowpea (Vigna unguiculata) | Descriptor: | Cysteine proteinase inhibitor, SULFATE ION | Authors: | Pereira, H.M, Valadares, N, Monteiro-Junior, J.E, Carvalho, C.P.S, Grangeiro, T.B. | Deposit date: | 2014-07-02 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Expression in Escherichia coli of cysteine protease inhibitors from cowpea (Vigna unguiculata): The crystal structure of a single-domain cystatin gives insights on its thermal and pH stability. Int. J. Biol. Macromol., 102, 2017
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3LRN
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![BU of 3lrn by Molmil](/molmil-images/mine/3lrn) | Crystal structure of human RIG-I CTD bound to a 14 bp GC 5' ppp dsRNA | Descriptor: | Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(GTP)P*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION | Authors: | Li, P. | Deposit date: | 2010-02-11 | Release date: | 2010-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain. Structure, 18, 2010
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4TXN
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![BU of 4txn by Molmil](/molmil-images/mine/4txn) | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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4U1B
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![BU of 4u1b by Molmil](/molmil-images/mine/4u1b) | HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-15 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4UB3
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![BU of 4ub3 by Molmil](/molmil-images/mine/4ub3) | DNA polymerase beta closed product complex with a templating cytosine and 8-oxodGMP, 60 s | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-11 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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4U5T
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![BU of 4u5t by Molmil](/molmil-images/mine/4u5t) | Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | Authors: | Stagno, J.R, Ji, X. | Deposit date: | 2014-07-25 | Release date: | 2014-08-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA. Mol.Pharmacol., 82, 2012
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4U6Q
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![BU of 4u6q by Molmil](/molmil-images/mine/4u6q) | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4UB4
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![BU of 4ub4 by Molmil](/molmil-images/mine/4ub4) | DNA polymerase beta substrate complex with a templating cytosine and incoming dGTP, 0 s | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-11 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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4UB5
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![BU of 4ub5 by Molmil](/molmil-images/mine/4ub5) | DNA polymerase beta substrate complex with a templating cytosine, incoming 8-oxodGTP, and Mn2+, 5 s | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-11 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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3M1D
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![BU of 3m1d by Molmil](/molmil-images/mine/3m1d) | Structure of BIR1 from cIAP1 | Descriptor: | Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Mace, P.D, Day, C.L. | Deposit date: | 2010-03-04 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Asymmetric recruitment of cIAPs by TRAF2 J.Mol.Biol., 400, 2010
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3M0K
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![BU of 3m0k by Molmil](/molmil-images/mine/3m0k) | |
4UB2
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![BU of 4ub2 by Molmil](/molmil-images/mine/4ub2) | DNA polymerase beta product complex with a templating cytosine and 8-oxodGMP, 120 s | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-11 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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3MFQ
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![BU of 3mfq by Molmil](/molmil-images/mine/3mfq) | A Glance into the Metal Binding Specificity of TroA: Where Elaborate Behaviors Occur in the Active Center | Descriptor: | High-affinity zinc uptake system protein znuA, ZINC ION | Authors: | Gao, G.F, Zheng, B, Zhang, Q, Gao, J, Han, H, Li, M. | Deposit date: | 2010-04-03 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Insight into the interaction of metal ions with TroA from Streptococcus suis Plos One, 6, 2011
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3MGT
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![BU of 3mgt by Molmil](/molmil-images/mine/3mgt) | Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 | Descriptor: | 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y. | Deposit date: | 2010-04-07 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses J.Gen.Virol., 91, 2010
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4UCT
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![BU of 4uct by Molmil](/molmil-images/mine/4uct) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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3MP4
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![BU of 3mp4 by Molmil](/molmil-images/mine/3mp4) | Crystal structure of Human lyase R41M mutant | Descriptor: | Hydroxymethylglutaryl-CoA lyase | Authors: | Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P. | Deposit date: | 2010-04-24 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes. J.Biol.Chem., 285, 2010
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3M0J
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![BU of 3m0j by Molmil](/molmil-images/mine/3m0j) | Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate | Descriptor: | 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Herzberg, O, Chen, C. | Deposit date: | 2010-03-03 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus. J.Biol.Chem., 285, 2010
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3MDA
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![BU of 3mda by Molmil](/molmil-images/mine/3mda) | DNA polymerase lambda in complex with araC | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*CP*(CAR))-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Garcia-Diaz, M, Murray, M, Kunkel, T, Chou, K.M. | Deposit date: | 2010-03-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Interaction between DNA Polymerase lambda and anticancer nucleoside analogs. J.Biol.Chem., 285, 2010
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3MGI
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![BU of 3mgi by Molmil](/molmil-images/mine/3mgi) | Ternary complex of a DNA polymerase lambda loop mutant | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA, DNA (5'-D(*CP*AP*GP*TP*AP*T)-3'), ... | Authors: | Garcia-Diaz, M, Bebenek, K, Zhou, R.Z, Povirk, L.F, Kunkel, T. | Deposit date: | 2010-04-06 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Loop 1 modulates the fidelity of DNA polymerase lambda Nucleic Acids Res., 38, 2010
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3MP3
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![BU of 3mp3 by Molmil](/molmil-images/mine/3mp3) | Crystal Structure of Human Lyase in complex with inhibitor HG-CoA | Descriptor: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-HYDROXYPENTANEDIOIC ACID, Hydroxymethylglutaryl-CoA lyase, ... | Authors: | Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P. | Deposit date: | 2010-04-24 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes. J.Biol.Chem., 285, 2010
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3MGO
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![BU of 3mgo by Molmil](/molmil-images/mine/3mgo) | Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 | Descriptor: | 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y. | Deposit date: | 2010-04-07 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses J.Gen.Virol., 91, 2010
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5M8H
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![BU of 5m8h by Molmil](/molmil-images/mine/5m8h) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | Authors: | Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G. | Deposit date: | 2016-10-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase. Biochemistry, 56, 2017
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4UCU
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![BU of 4ucu by Molmil](/molmil-images/mine/4ucu) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCV
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![BU of 4ucv by Molmil](/molmil-images/mine/4ucv) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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