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2DC2
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BU of 2dc2 by Molmil
Solution Structure of PDZ Domain
分子名称: golgi associated PDZ and coiled-coil motif containing isoform b
著者Li, X, Wu, J, Shi, Y.
登録日2005-12-20
公開日2006-09-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of GOPC PDZ domain and its interaction with the C-terminal motif of neuroligin
Protein Sci., 15, 2006
8ECG
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BU of 8ecg by Molmil
Complex of HMG1 with pitavastatin
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin
著者Haywood, J, Bond, C.S.
登録日2022-09-01
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
3RKD
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BU of 3rkd by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody
分子名称: Capsid protein, Monoclonal Antibody, Heavy Chain, ...
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011
4R7I
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BU of 4r7i by Molmil
Crystal structure of FMS kinase domain with a small molecular inhibitor, GLEEVEC
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, C.
登録日2014-08-27
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor.
N Engl J Med, 373, 2015
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
7V12
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BU of 7v12 by Molmil
Factor XIa in Complex with Compound 2f
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V0Z
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BU of 7v0z by Molmil
Factor XIa in Complex with Compound 2a
分子名称: Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V10
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BU of 7v10 by Molmil
Factor XIa in Complex with Compound 2d
分子名称: CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
4R7H
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BU of 4r7h by Molmil
Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397
分子名称: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, K, Zhang, C.
登録日2014-08-27
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8001 Å)
主引用文献Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor.
N Engl J Med, 373, 2015
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
分子名称: Ran guanine nucleotide release factor
著者Hu, Q, Liu, Y, Bao, X, Liu, H.
登録日2017-09-21
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
5KK0
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BU of 5kk0 by Molmil
Synechocystis ACO mutant - T136A
分子名称: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
著者Sui, X, Kiser, P.D, Palczewski, K.
登録日2016-06-20
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Utilization of Dioxygen by Carotenoid Cleavage Oxygenases.
J.Biol.Chem., 290, 2015
5JZV
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BU of 5jzv by Molmil
The structure of D77G hCINAP-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase isoenzyme 6
著者Liu, Y, Yang, Z, Yang, Y, Cai, X, Zheng, X.
登録日2016-05-17
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The ATPase hCINAP regulates 18S rRNA processing and is essential for embryogenesis and tumour growth.
Nat Commun, 7, 2016
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
分子名称: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
著者Zhou, A, Wei, Z, Bai, J, Wang, H.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-21
公開日2022-03-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ...
著者Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
登録日2019-01-26
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
3RKC
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BU of 3rkc by Molmil
Hepatitis E Virus Capsid Protein E2s Domain (genotype IV)
分子名称: Capsid protein
著者Tang, X.H, Sivaraman, J.
登録日2011-04-18
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural basis for the neutralization and genotype specificity of hepatitis E virus
Proc.Natl.Acad.Sci.USA, 108, 2011
4RT7
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BU of 4rt7 by Molmil
Crystal Structure of FLT3 with a small molecule inhibitor
分子名称: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3
著者Zhang, Y, Zhang, C.
登録日2014-11-13
公開日2015-04-22
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397.
Cancer Discov, 5, 2015
7E9Q
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Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-09
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022

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