6CJF
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![BU of 6cjf by Molmil](/molmil-images/mine/6cjf) | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6WPL
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![BU of 6wpl by Molmil](/molmil-images/mine/6wpl) | Structure of Cytochrome P450tcu | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ... | Authors: | Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2020-04-27 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases. Biochemistry, 59, 2020
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1OXN
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![BU of 1oxn by Molmil](/molmil-images/mine/1oxn) | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEAVPWKSE peptide, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | Deposit date: | 2003-04-03 | Release date: | 2003-08-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) Biochemistry, 42, 2003
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6BTI
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![BU of 6bti by Molmil](/molmil-images/mine/6bti) | Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with N-arachidonoylethanolamine (AEA) | Descriptor: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | Deposit date: | 2017-12-06 | Release date: | 2018-12-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight. Sci Adv, 6, 2020
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6BZM
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![BU of 6bzm by Molmil](/molmil-images/mine/6bzm) | GFGNFGTS from low-complexity/FG repeat domain of Nup98, residues 116-123 | Descriptor: | Nuclear pore complex protein Nup98-Nup96 | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Chong, L, Gonen, T, Eisenberg, D.S. | Deposit date: | 2017-12-24 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks. Science, 359, 2018
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3GDD
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![BU of 3gdd by Molmil](/molmil-images/mine/3gdd) | An inverted anthraquinone-DNA crystal structure | Descriptor: | 5'-D(*(BRU)P*AP*GP*G)-3', MAGNESIUM ION, N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] | Authors: | Subirana, J.A, De Luchi, D, Wright, G, Gouyette, C. | Deposit date: | 2009-02-24 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a stacked anthraquinone-DNA complex Acta Crystallogr.,Sect.F, 66, 2010
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3GDK
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![BU of 3gdk by Molmil](/molmil-images/mine/3gdk) | Crystal structure of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae | Descriptor: | Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-02-24 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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1Q41
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![BU of 1q41 by Molmil](/molmil-images/mine/1q41) | GSK-3 Beta complexed with Indirubin-3'-monoxime | Descriptor: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | Deposit date: | 2003-08-01 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors J.Mol.Biol., 333, 2003
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6X4D
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![BU of 6x4d by Molmil](/molmil-images/mine/6x4d) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor | Descriptor: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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3G1S
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![BU of 3g1s by Molmil](/molmil-images/mine/3g1s) | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | Descriptor: | Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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3G22
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![BU of 3g22 by Molmil](/molmil-images/mine/3g22) | Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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1PRM
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![BU of 1prm by Molmil](/molmil-images/mine/1prm) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1PRL
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![BU of 1prl by Molmil](/molmil-images/mine/1prl) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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6X1Z
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![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6BYR
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![BU of 6byr by Molmil](/molmil-images/mine/6byr) | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ... | Authors: | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | Deposit date: | 2017-12-21 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.661 Å) | Cite: | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha. Structure, 27, 2019
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6WFL
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![BU of 6wfl by Molmil](/molmil-images/mine/6wfl) | Camphor soaked P450cam D251E | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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1PJR
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3G9X
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![BU of 3g9x by Molmil](/molmil-images/mine/3g9x) | Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I. | Deposit date: | 2009-02-15 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
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6VS6
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![BU of 6vs6 by Molmil](/molmil-images/mine/6vs6) | |
3G1V
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![BU of 3g1v by Molmil](/molmil-images/mine/3g1v) | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5-fluorouridine 5'-monophosphate | Descriptor: | 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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3G24
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![BU of 3g24 by Molmil](/molmil-images/mine/3g24) | Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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6VV6
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![BU of 6vv6 by Molmil](/molmil-images/mine/6vv6) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.235 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6D2V
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![BU of 6d2v by Molmil](/molmil-images/mine/6d2v) | Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway | Descriptor: | CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-04-14 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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6D34
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![BU of 6d34 by Molmil](/molmil-images/mine/6d34) | Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme | Descriptor: | ISOPROPYL ALCOHOL, TerC | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-04-14 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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3DZ2
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![BU of 3dz2 by Molmil](/molmil-images/mine/3dz2) | Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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