3GWZ
 
 | | Structure of the Mitomycin 7-O-methyltransferase MmcR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MmcR, ... | | Authors: | Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S. | | Deposit date: | 2009-04-01 | | Release date: | 2010-04-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
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4F76
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3PI3
 | | Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 5.0 | | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
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3H7K
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1XLD
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION, Xylitol | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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4FN4
 | | short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Pennacchio, A, Sannino, V, Sorrentino, G, Rossi, M, Raia, C.A, Esposito, L. | | Deposit date: | 2012-06-19 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil.
Appl.Microbiol.Biotechnol., 97, 2013
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4K0B
 | | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAM and PPi | | Descriptor: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-04-03 | | Release date: | 2013-05-01 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
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2G13
 | | CsoS1A with sulfate ion | | Descriptor: | Major carboxysome shell protein 1A, SULFATE ION | | Authors: | Tsai, Y, Sawaya, M.R, Cannon, G.C, Williams, E.B, Kerfeld, C.A, Yeates, T.O. | | Deposit date: | 2006-02-13 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural Analysis of CsoS1A and the Protein Shell of the Halothiobacillus neapolitanus Carboxysome.
Plos Biol., 5, 2007
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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7Z2B
 | | P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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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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2GCB
 | | G51S/S52T double mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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6OAL
 | | Structure of human PARG complexed with JA2120 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | | Deposit date: | 2019-03-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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4KLB
 | | Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | | Descriptor: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | | Authors: | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | | Deposit date: | 2013-05-07 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
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2G83
 | | Structure of activated G-alpha-i1 bound to a nucleotide-state-selective peptide: Minimal determinants for recognizing the active form of a G protein alpha subunit | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | | Authors: | Johnston, C.A, Ramer, J.K, Blaesius, R, Kuhlman, B, Arshavsky, V.Y, Siderovski, D.P. | | Deposit date: | 2006-03-01 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Minimal Determinants for Binding Activated Galpha from the Structure of a Galpha(i1)-Peptide Dimer.
Biochemistry, 45, 2006
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6OCU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6OPV
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6OPZ
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6OOT
 | | HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | | Authors: | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | | Deposit date: | 2019-04-23 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
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1HZW
 | | CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | | Authors: | Almog, R, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P. | | Deposit date: | 2001-01-26 | | Release date: | 2001-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
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5XIA
 | | STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol | | Authors: | Henrick, K, Collyer, C.A, Blow, D.M. | | Deposit date: | 1989-07-05 | | Release date: | 1990-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
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1HZX
 | | CRYSTAL STRUCTURE OF BOVINE RHODOPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | | Authors: | Teller, D.C, Okada, T, Behnke, C.A, Palczewski, K, Stenkamp, R.E. | | Deposit date: | 2001-01-26 | | Release date: | 2001-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs).
Biochemistry, 40, 2001
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1I00
 | | CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Almog, R.A, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P. | | Deposit date: | 2001-01-27 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
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6ORT
 | | Crystal Structure of Bos taurus Mxra8 Ectodomain | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8 | | Authors: | Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-04-30 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
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6OWD
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