1HU6
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![BU of 1hu6 by Molmil](/molmil-images/mine/1hu6) | SOLUTION STRUCTURE OF G10 NOVISPIRIN | Descriptor: | G10 NOVISPIRIN | Authors: | Sawai, M.V, Waring, A.J, Kearney, W.R, McCray Jr, P.B, Forsyth, W.R, Lehrer, R.I, Tack, B.F. | Deposit date: | 2001-01-04 | Release date: | 2002-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Impact of single-residue mutations on the structure and function of ovispirin/novispirin antimicrobial peptides. Protein Eng., 15, 2002
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1ZXL
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![BU of 1zxl by Molmil](/molmil-images/mine/1zxl) | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-08 | Release date: | 2006-06-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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5CQ2
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![BU of 5cq2 by Molmil](/molmil-images/mine/5cq2) | Crystal Structure of tandem WW domains of ITCH in complex with TXNIP peptide | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-07-21 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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2XBV
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![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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1HP0
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![BU of 1hp0 by Molmil](/molmil-images/mine/1hp0) | CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX IN COMPLEX WITH THE SUBSTRATE ANALOGUE 3-DEAZA-ADENOSINE | Descriptor: | 3-DEAZA-ADENOSINE, CALCIUM ION, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE | Authors: | Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J. | Deposit date: | 2000-12-12 | Release date: | 2001-12-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax. J.Mol.Biol., 307, 2001
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1HTV
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![BU of 1htv by Molmil](/molmil-images/mine/1htv) | |
1HU5
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![BU of 1hu5 by Molmil](/molmil-images/mine/1hu5) | SOLUTION STRUCTURE OF OVISPIRIN-1 | Descriptor: | OVISPIRIN-1 | Authors: | Sawai, M.V, Waring, A.J, Kearney, W.R, McCray Jr, P.B, Forsyth, W.R, Lehrer, R.I, Tack, B.F. | Deposit date: | 2001-01-04 | Release date: | 2002-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Impact of single-residue mutations on the structure and function of ovispirin/novispirin antimicrobial peptides. Protein Eng., 15, 2002
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6GZM
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![BU of 6gzm by Molmil](/molmil-images/mine/6gzm) | Crystal Structure of Human CKIdelta with A86 | Descriptor: | CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ... | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | Deposit date: | 2018-07-04 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models. Cell, 175, 2018
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1HVC
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![BU of 1hvc by Molmil](/molmil-images/mine/1hvc) | CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-06-22 | Release date: | 1994-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor. Nat.Struct.Biol., 1, 1994
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1UMX
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![BU of 1umx by Molmil](/molmil-images/mine/1umx) | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ARG M267 REPLACED WITH LEU (CHAIN M, R267L) | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, FE (III) ION, ... | Authors: | Fyfe, P.K, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | Deposit date: | 2003-09-02 | Release date: | 2004-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Disruption of a specific molecular interaction with a bound lipid affects the thermal stability of the purple bacterial reaction centre. Biochim.Biophys.Acta, 1608, 2004
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1HIP
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![BU of 1hip by Molmil](/molmil-images/mine/1hip) | TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED CHROMATIUM HIGH POTENTIAL IRON PROTEIN | Descriptor: | HIGH POTENTIAL IRON PROTEIN, IRON/SULFUR CLUSTER | Authors: | Carterjunior, C.W, Kraut, J, Freer, S.T, Xuong, N.-H, Alden, R.A, Bartsch, R.G. | Deposit date: | 1975-04-01 | Release date: | 1976-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two-Angstrom crystal structure of oxidized Chromatium high potential iron protein. J.Biol.Chem., 249, 1974
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6CVE
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![BU of 6cve by Molmil](/molmil-images/mine/6cve) | Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid | Descriptor: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ... | Authors: | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | Deposit date: | 2018-03-28 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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1XH9
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![BU of 1xh9 by Molmil](/molmil-images/mine/1xh9) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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8BNS
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1HUZ
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![BU of 1huz by Molmil](/molmil-images/mine/1huz) | CRYSTAL STRUCTURE OF DNA POLYMERASE COMPLEXED WITH DNA AND CR-PCP | Descriptor: | 5'-D(*AP*AP*TP*AP*GP*GP*CP*GP*TP*CP*G)-3', 5'-D(P*CP*GP*AP*CP*GP*CP*CP*T)-3', CHROMIUM ION, ... | Authors: | Arndt, J.W, Gong, W, Zhong, X, Showalter, A.K, Liu, J, Lin, Z, Paxson, C, Tsai, M.-D, Chan, M.K. | Deposit date: | 2001-01-04 | Release date: | 2001-04-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the catalytic mechanism of DNA polymerase beta: structures of intermediate complexes. Biochemistry, 40, 2001
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6H00
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![BU of 6h00 by Molmil](/molmil-images/mine/6h00) | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ... | Authors: | Mackinnon, S, Wilson, M.P, Shrestha, L, Bezerra, G.A, Newman, J, Fox, N, Sorrell, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Clayton, P.T, Mills, P.B, Yue, W.W. | Deposit date: | 2018-07-05 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant To Be Published
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1HN9
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![BU of 1hn9 by Molmil](/molmil-images/mine/1hn9) | CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III | Descriptor: | BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, PHOSPHATE ION | Authors: | Qiu, X, Janson, C.A, Konstantinidis, A.K, Nwagwu, S, Silverman, C, Smith, W.W, Khandekar, S.K, Lonsdale, J, Abdel-Meguid, S.S. | Deposit date: | 2000-12-07 | Release date: | 2000-12-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of beta-ketoacyl-acyl carrier protein synthase III. A key condensing enzyme in bacterial fatty acid biosynthesis. J.Biol.Chem., 274, 1999
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1XH5
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![BU of 1xh5 by Molmil](/molmil-images/mine/1xh5) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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5KYM
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![BU of 5kym by Molmil](/molmil-images/mine/5kym) | Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W. | Deposit date: | 2016-07-21 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer. Nat. Struct. Mol. Biol., 24, 2017
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1HRP
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![BU of 1hrp by Molmil](/molmil-images/mine/1hrp) | CRYSTAL STRUCTURE OF HUMAN CHORIONIC GONADOTROPIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN CHORIONIC GONADOTROPIN | Authors: | Lapthorn, A.J, Harris, D.C, Isaacs, N.W. | Deposit date: | 1994-08-15 | Release date: | 1994-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human chorionic gonadotropin. Nature, 369, 1994
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1HW4
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![BU of 1hw4 by Molmil](/molmil-images/mine/1hw4) | STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | Deposit date: | 2001-01-09 | Release date: | 2001-01-24 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors. J.Biol.Chem., 276, 2001
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6CVV
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![BU of 6cvv by Molmil](/molmil-images/mine/6cvv) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-03-29 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6GMB
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![BU of 6gmb by Molmil](/molmil-images/mine/6gmb) | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-24 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
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6CZC
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![BU of 6czc by Molmil](/molmil-images/mine/6czc) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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1TDB
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![BU of 1tdb by Molmil](/molmil-images/mine/1tdb) | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | Deposit date: | 1993-02-15 | Release date: | 1993-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate. Biochemistry, 32, 1993
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