2IRW
 
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | | 分子名称: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | | 登録日 | 2006-10-16 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
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2ILT
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | | 分子名称: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | | 登録日 | 2006-10-03 | | 公開日 | 2007-04-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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8Q79
 | | Structure of mBaoJin at pH 6.5 | | 分子名称: | CHLORIDE ION, mBaoJin | | 著者 | Samygina, V.R, Subach, O.M, Vlaskina, A.V, Nikolaeva, A.Y, Borshchevsky, V, Qin, W, Subach, F.V. | | 登録日 | 2023-08-15 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
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1MUI
 | | Crystal structure of HIV-1 protease complexed with Lopinavir. | | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | | 登録日 | 2002-09-23 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
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7C8V
 | | Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | 著者 | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | 登録日 | 2020-06-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7C8W
 | | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | | 分子名称: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | | 著者 | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | | 登録日 | 2020-06-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7CAN
 | | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | 著者 | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | 登録日 | 2020-06-09 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7D2Z
 | | Structure of sybody SR31 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | | 分子名称: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | 著者 | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | | 登録日 | 2020-09-17 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
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7D30
 | | Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | | 分子名称: | 1,3-BUTANEDIOL, ACETATE ION, CADMIUM ION, ... | | 著者 | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | 登録日 | 2020-09-17 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
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6IJU
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6LR9
 | | HSP90 in complex with Debio0932 | | 分子名称: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-15 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.196 Å) | | 主引用文献 | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
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6IIW
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8QBJ
 | | Structure of mBaoJin at pH 4.6 | | 分子名称: | CHLORIDE ION, mBaoJin | | 著者 | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
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8QDD
 | | Structure of mBaoJin at pH 8.5 | | 分子名称: | CHLORIDE ION, SULFATE ION, mBaoJin | | 著者 | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | 登録日 | 2023-08-28 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
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8KHG
 | | Itaconyl-CoA hydratase PaIch | | 分子名称: | CITRIC ACID, Itaconyl-CoA hydratase | | 著者 | Huang, Q, Bao, R. | | 登録日 | 2023-08-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional characterization of itaconyl-CoA hydratase and citramalyl-CoA lyase involved in itaconate metabolism of Pseudomonas aeruginosa.
Structure, 32, 2024
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8KHL
 | | (S)-citramalyl-CoA lyase | | 分子名称: | COENZYME A, Probable acyl-CoA lyase beta chain | | 著者 | Huang, Q, Bao, R. | | 登録日 | 2023-08-22 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and functional characterization of itaconyl-CoA hydratase and citramalyl-CoA lyase involved in itaconate metabolism of Pseudomonas aeruginosa.
Structure, 32, 2024
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4HOV
 | | DypB N246A in complex with manganese | | 分子名称: | CHLORIDE ION, DypB, FORMIC ACID, ... | | 著者 | Grigg, J.C, Singh, R, Eltis, L.D, Murphy, M.E.P. | | 登録日 | 2012-10-22 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium.
Acs Chem.Biol., 8, 2013
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5DIJ
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5DLK
 | | The crystal structure of CT mutant | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA | | 著者 | Zhang, J.R, Tang, Y, Zhou, J.H. | | 登録日 | 2015-09-06 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
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8WCO
 | | (S)-citramalyl-CoA lyase | | 分子名称: | ACETYL COENZYME *A, Probable acyl-CoA lyase beta chain | | 著者 | Huang, Q, Bao, R. | | 登録日 | 2023-09-13 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional characterization of itaconyl-CoA hydratase and citramalyl-CoA lyase involved in itaconate metabolism of Pseudomonas aeruginosa.
Structure, 32, 2024
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5EJD
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5EGF
 | | The crystal structure of SeMet-CT | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA | | 著者 | Zhang, J.R, Tang, Y, Zhou, J.H. | | 登録日 | 2015-10-27 | | 公開日 | 2016-10-19 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
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5EZY
 | | Crystal structure of T2R-TTL-taccalonolide AJ complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | 登録日 | 2015-11-27 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Mechanism of microtubule stabilization by taccalonolide AJ
Nat Commun, 8, 2017
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6LT8
 | | HSP90 in complex with KW-2478 | | 分子名称: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-21 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | | 主引用文献 | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478.
J.Struct.Biol., 213, 2021
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6LTK
 | | HSP90 in complex with SNX-2112 | | 分子名称: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-22 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.141 Å) | | 主引用文献 | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
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