4QJQ
 
 | | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, ... | | 著者 | Singh, R.P, Kushwaha, G.S, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2014-06-04 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution
To be Published
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7JXT
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | 分子名称: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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7JPV
 | | Rabbit Cav1.1 in the presence of 1 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | 著者 | Yan, N, Gao, S. | | 登録日 | 2020-08-10 | | 公開日 | 2020-11-18 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1I5R
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | | 分子名称: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | | 著者 | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | | 登録日 | 2001-02-28 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
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3DWF
 | | Crystal Structure of the Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 Mutant F278E | | 分子名称: | 11-beta-hydroxysteroid dehydrogenase 1, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Lawson, A.J, Ride, J.P, White, S.A, Walker, E.A. | | 登録日 | 2008-07-22 | | 公開日 | 2009-08-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mutations of key hydrophobic surface residues of 11 beta-hydroxysteroid dehydrogenase type 1 increase solubility and monodispersity in a bacterial expression system
Protein Sci., 18, 2009
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2RCC
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1XUO
 | | X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | | 分子名称: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | | 著者 | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | | 登録日 | 2004-10-26 | | 公開日 | 2005-10-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
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3HB5
 | | Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy | | 分子名称: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Mazumdar, M, Lin, S.-X. | | 登録日 | 2009-05-04 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
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5PGU
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2P2S
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1R0K
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Zymomonas mobilis | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ACETATE ION | | 著者 | Ricagno, S, Grolle, S, Bringer-Meyer, S, Sahm, H, Lindqvist, Y, Schneider, G. | | 登録日 | 2003-09-22 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Crystal structure of 1-deoxy-d-xylulose-5-phosphate reductoisomerase from Zymomonas mobilis at 1.9-A resolution.
Biochim.Biophys.Acta, 1698, 2004
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1QGU
 | | NITROGENASE MO-FE PROTEIN FROM KLEBSIELLA PNEUMONIAE, DITHIONITE-REDUCED STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-06 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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3VO3
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative | | 分子名称: | 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2 | | 著者 | Oki, H, Okada, K. | | 登録日 | 2012-01-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
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1QH8
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-11 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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1QH1
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, PHENOSAFRANIN OXIDIZED STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-10 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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5PGX
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5PGY
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | | 分子名称: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5PGW
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | 分子名称: | 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5PGZ
 | | CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | | 分子名称: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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1ZAJ
 | | Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor | | 分子名称: | D-MANNITOL-1,6-DIPHOSPHATE, Fructose-bisphosphate aldolase A | | 著者 | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | | 登録日 | 2005-04-06 | | 公開日 | 2005-05-10 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
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5OW9
 | | Vitamin D receptor complex | | 分子名称: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N, Li, W. | | 登録日 | 2017-08-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | | 主引用文献 | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
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3ZK4
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7JPW
 | | Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | 著者 | Yan, N, Gao, S. | | 登録日 | 2020-08-10 | | 公開日 | 2020-11-18 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7JPL
 | | Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | 著者 | Yan, N, Gao, S. | | 登録日 | 2020-08-09 | | 公開日 | 2020-11-18 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7JPK
 | | Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0 Angstrom resolution | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | 著者 | Yan, N, Gao, S. | | 登録日 | 2020-08-09 | | 公開日 | 2020-11-18 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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