3KDD
 
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | 登録日 | 2009-10-22 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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3KDB
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. | | 登録日 | 2009-10-22 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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6NPZ
 | | Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate | | 分子名称: | GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | 著者 | Chu, N, Cole, P.A, Gabelli, S.B. | | 登録日 | 2019-01-18 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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6NCH
 | | Crystal structure of CDP-Chase: Raster data collection | | 分子名称: | D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ... | | 著者 | Miller, M.S, Shi, W, Gabelli, S.B. | | 登録日 | 2018-12-11 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6VJC
 | | LmFPPS mutant T164Y in complex with 476A, IPP & Ca | | 分子名称: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | 著者 | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | 登録日 | 2020-01-15 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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2PK6
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10033 | | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl- L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M. | | 登録日 | 2007-04-17 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Compensating enthalpic and entropic changes hinder binding affinity optimization.
Chem.Biol.Drug Des., 69, 2007
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2PK5
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I ) in Complex with KNI-10075 | | 分子名称: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M. | | 登録日 | 2007-04-17 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Compensating enthalpic and entropic changes hinder binding affinity optimization.
Chem.Biol.Drug Des., 69, 2007
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6W7I
 | | LmFPPS mutant T164W in complex with 476A, IPP & Ca | | 分子名称: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | 著者 | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | 登録日 | 2020-03-19 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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6WW1
 | | Crystal structure of the LmFPPS mutant E97Y | | 分子名称: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | 著者 | Maheshwari, S, Kim, Y.S, Gabelli, S.B. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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6NCK
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | | 分子名称: | COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | 著者 | Miller, M.S, Maheshwari, S, Gabelli, S.B. | | 登録日 | 2018-12-11 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6NCI
 | | Crystal structure of CDP-Chase: Vector data collection | | 分子名称: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | 著者 | Miller, M.S, Shi, W, Gabelli, S.B. | | 登録日 | 2018-12-11 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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7FAB
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6BUU
 | | Crystal structure of AKT1 (aa 144-480) with a bisubstrate | | 分子名称: | GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | 著者 | Chu, N, Gabelli, S.B, Cole, P.A. | | 登録日 | 2017-12-11 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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1TEH
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4ZFQ
 | | Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form) | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5 | | 著者 | Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A. | | 登録日 | 2015-04-21 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
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4Z7A
 | | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | | 分子名称: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | | 著者 | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | | 登録日 | 2015-04-06 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
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1DEH
 | | CRYSTALLIZATION OF HUMAN BETA1 ALCOHOL DEHYDROGENASE (15 MG/ML) IN 50 MM SODIUM PHOSPHATE (PH 7.5), 2.0 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 OC, 13% (W/V) PEG 8000 | | 分子名称: | 4-IODOPYRAZOLE, CHLORIDE ION, HUMAN BETA1 ALCOHOL DEHYDROGENASE, ... | | 著者 | Hurley, T.D, Davis, G.J. | | 登録日 | 1995-10-14 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray structure of human beta3beta3 alcohol dehydrogenase. The contribution of ionic interactions to coenzyme binding.
J.Biol.Chem., 271, 1996
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1RRH
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1RRL
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5DCC
 | | X-RAY CRYSTAL STRUCTURE OF a TEBIPENEM ADDUCT OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | | 分子名称: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A. | | 登録日 | 2015-08-23 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.451 Å) | | 主引用文献 | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
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5DC2
 | | X-RAY CRYSTAL STRUCTURE OF A ENZYMATICALLY DEGRADED BIAPENEM-ADDUCT OF L,D-TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | | 分子名称: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A. | | 登録日 | 2015-08-23 | | 公開日 | 2016-10-05 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | | 主引用文献 | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
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1YGE
 | | LIPOXYGENASE-1 (SOYBEAN) AT 100K | | 分子名称: | FE (III) ION, LIPOXYGENASE-1 | | 著者 | Minor, W, Steczko, J, Stec, B, Otwinowski, Z, Bolin, J.T, Walter, R, Axelrod, B. | | 登録日 | 1996-06-04 | | 公開日 | 1997-07-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of soybean lipoxygenase L-1 at 1.4 A resolution.
Biochemistry, 35, 1996
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6BOI
 | | Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354 | | 分子名称: | (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Saavedra, H, Bianchet, M.A. | | 登録日 | 2017-11-20 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem
To Be Published
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1JNQ
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | | 分子名称: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | | 著者 | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | | 登録日 | 2001-07-24 | | 公開日 | 2003-06-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
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1N8K
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