7XYD
 
 | | Crystal structure of TMPRSS2 in complex with Nafamostat | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | 著者 | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | | 登録日 | 2022-06-01 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0F
 | | Crystal structure of TMPRSS2 in complex with UK-371804 | | 分子名称: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | 登録日 | 2022-06-04 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0E
 | | Crystal structure of TMPRSS2 in complex with Camostat | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | 登録日 | 2022-06-04 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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3PRE
 | | Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors. | | 分子名称: | 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L. | | 登録日 | 2010-11-29 | | 公開日 | 2011-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3PRZ
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7DQA
 | | Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Wang, J, Lan, J, Wang, X.Q, Wang, H.W. | | 登録日 | 2020-12-22 | | 公開日 | 2021-12-29 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
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9DOU
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9BVP
 | | Vitamin K-dependent gamma-carboxylase with TMG2 propeptide and glutamate-rich region and with vitamin K hydroquinone | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVO
 | | Vitamin K-dependent gamma-carboxylase in apo state | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVL
 | | Vitamin K-dependent gamma-carboxylase with factor X propeptide and glutamate-rich region and with vitamin K hydroquinone | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVR
 | | Vitamin K-dependent gamma-carboxylase with factor IX propeptide and partially carboxylated glutamate-rich region and with vitamin K hydroquinone and calcium | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVQ
 | | Vitamin K-dependent gamma-carboxylase with TMG2 propeptide and glutamate-rich region | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVK
 | | Vitamin K-dependent gamma-carboxylase with factor IX propeptide and glutamate-rich region and with vitamin K hydroquinone | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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9BVM
 | | Vitamin K-dependent gamma-carboxylase with protein C propeptide and glutamate-rich region and with vitamin K hydroquinone | | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, W, Liu, B, Cao, Q. | | 登録日 | 2024-05-20 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-03-26 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Molecular basis of vitamin-K-driven gamma-carboxylation at the membrane interface.
Nature, 639, 2025
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4OBP
 | | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | | 著者 | Harris, S.F, Wu, P. | | 登録日 | 2014-01-07 | | 公開日 | 2014-04-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
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4NK3
 | | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | 登録日 | 2013-11-12 | | 公開日 | 2014-02-19 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
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4OBO
 | | MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2014-01-07 | | 公開日 | 2014-04-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
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4OBQ
 | | MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2014-01-07 | | 公開日 | 2014-04-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
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4P0N
 | | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | | 分子名称: | GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ... | | 著者 | Chmait, S. | | 登録日 | 2014-02-21 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
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4QP1
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4QP9
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4QP7
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4QP6
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7YEQ
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8UW2
 | | Structure of AKT1(E17K) with compound 3 (zinc-free) | | 分子名称: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | 著者 | Craven, G.B, Taunton, J. | | 登録日 | 2023-11-05 | | 公開日 | 2024-09-04 | | 最終更新日 | 2025-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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