6OXT
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![BU of 6oxt by Molmil](/molmil-images/mine/6oxt) | HIV-1 Protease NL4-3 WT in Complex with LR-84 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OY0
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![BU of 6oy0 by Molmil](/molmil-images/mine/6oy0) | HIV-1 Protease NL4-3 WT in Complex with LR2-21 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OOC
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![BU of 6ooc by Molmil](/molmil-images/mine/6ooc) | Structure of the pterocarpan synthase dirigent protein GePTS1 | Descriptor: | Dirigent protein | Authors: | Smith, C.A. | Deposit date: | 2019-04-23 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains. J.Biol.Chem., 295, 2020
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6OOS
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![BU of 6oos by Molmil](/molmil-images/mine/6oos) | HIV-1 Protease NL4-3 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 (1.9 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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2G08
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![BU of 2g08 by Molmil](/molmil-images/mine/2g08) | X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, product-transition complex analog with Aluminum fluoride | Descriptor: | ALUMINUM FLUORIDE, Cytosolic 5'-nucleotidase III, MAGNESIUM ION | Authors: | Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2006-02-11 | Release date: | 2006-04-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning. J.Biol.Chem., 281, 2006
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6OPS
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![BU of 6ops by Molmil](/molmil-images/mine/6ops) | HIV-1 Protease NL4-3 WT 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 (2.08 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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2BFC
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![BU of 2bfc by Molmil](/molmil-images/mine/2bfc) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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6OPW
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![BU of 6opw by Molmil](/molmil-images/mine/6opw) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, 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, SULFATE ION | 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: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 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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4EPJ
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![BU of 4epj by Molmil](/molmil-images/mine/4epj) | Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-17 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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6MB3
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![BU of 6mb3 by Molmil](/molmil-images/mine/6mb3) | |
6OTX
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![BU of 6otx by Molmil](/molmil-images/mine/6otx) | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.539 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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3M4Z
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![BU of 3m4z by Molmil](/molmil-images/mine/3m4z) | Crystal Structure of B. subtilis ferrochelatase with Cobalt bound at the active site | Descriptor: | CHLORIDE ION, COBALT (II) ION, Ferrochelatase, ... | Authors: | Soderberg, C.A.G, Hansson, M.D, Sreekanth, R, Al-Karadaghi, S, Hansson, M. | Deposit date: | 2010-03-12 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Bacterial ferrochelatase goes human: Tyr13 determines the apparent metal specificity of Bacillus subtilis ferrochelatase To be Published
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6OXX
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![BU of 6oxx by Molmil](/molmil-images/mine/6oxx) | HIV-1 Protease NL4-3 WT in Complex with LR2-18 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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3M5N
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![BU of 3m5n by Molmil](/molmil-images/mine/3m5n) | |
2BPD
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![BU of 2bpd by Molmil](/molmil-images/mine/2bpd) | STRUCTURE OF MURINE DECTIN-1 | Descriptor: | DECTIN-1 | Authors: | Brown, J, O'Callaghan, C.A, Marshall, A.S.J, Gilbert, R.J.C, Siebold, C, Gordon, S, Brown, G.D, Jones, E.Y. | Deposit date: | 2005-04-19 | Release date: | 2006-08-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications for Function. Protein Sci., 16, 2007
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2BPH
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![BU of 2bph by Molmil](/molmil-images/mine/2bph) | STRUCTURE OF MURINE DECTIN-1 | Descriptor: | DECTIN-1, MAGNESIUM ION | Authors: | Brown, J, O'Callaghan, C.A, Marshall, A.S.J, Gilbert, R.J.C, Siebold, C, Gordon, S, Brown, G.D, Jones, E.Y. | Deposit date: | 2005-04-19 | Release date: | 2006-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications for Function. Protein Sci., 16, 2007
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6OXW
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![BU of 6oxw by Molmil](/molmil-images/mine/6oxw) | HIV-1 Protease NL4-3 WT in Complex with LR-100 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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2C1Z
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![BU of 2c1z by Molmil](/molmil-images/mine/2c1z) | Structure and activity of a flavonoid 3-O glucosyltransferase reveals the basis for plant natural product modification | Descriptor: | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, UDP-GLUCOSE FLAVONOID 3-O GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Offen, W, Martinez-Fleites, C, Kiat-Lim, E, Yang, M, Davis, B.G, Tarling, C.A, Ford, C.M, Bowles, D.J, Davies, G.J. | Deposit date: | 2005-09-22 | Release date: | 2006-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification. Embo J., 25, 2006
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6OXQ
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![BU of 6oxq by Molmil](/molmil-images/mine/6oxq) | HIV-1 Protease NL4-3 WT in Complex with UMass8 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXV
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![BU of 6oxv by Molmil](/molmil-images/mine/6oxv) | HIV-1 Protease NL4-3 WT in Complex with LR-85 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXY
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![BU of 6oxy by Molmil](/molmil-images/mine/6oxy) | HIV-1 Protease NL4-3 WT in Complex with LR2-19 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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3MGR
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![BU of 3mgr by Molmil](/molmil-images/mine/3mgr) | Binding of Rubidium ions to the Nucleosome Core Particle | Descriptor: | CHLORIDE ION, DNA (147-MER), Histone H2A, ... | Authors: | Mohideen, K, Muhammad, R, Davey, C.A. | Deposit date: | 2010-04-07 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Perturbations in nucleosome structure from heavy metal association. Nucleic Acids Res., 38, 2010
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3MJS
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![BU of 3mjs by Molmil](/molmil-images/mine/3mjs) | Structure of A-type Ketoreductases from Modular Polyketide Synthase | Descriptor: | (2S)-2-hydroxybutanedioic acid, AmphB, D-MALATE, ... | Authors: | Zheng, J, Taylor, C.A, Piasecki, S.K, Keatinge-Clay, A.T. | Deposit date: | 2010-04-13 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Functional Analysis of A-Type Ketoreductases from the Amphotericin Modular Polyketide Synthase. Structure, 18, 2010
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2BFE
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![BU of 2bfe by Molmil](/molmil-images/mine/2bfe) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFB
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![BU of 2bfb by Molmil](/molmil-images/mine/2bfb) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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