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5IGT
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Macrolide 2'-phosphotransferase type I - complex with guanosine and erythromycin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ERYTHROMYCIN A, GUANOSINE, ...
著者Berghuis, A.M, Fong, D.H.
登録日2016-02-28
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
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
7E9O
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Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
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 (3.41 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
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
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2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.69 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
7E9N
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Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
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2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.69 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
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
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, Heavy chain of Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (2.76 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
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.59 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
6VI8
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Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ...
著者Wang, Y, Liu, F, Yang, Y, Liu, A.
登録日2020-01-12
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
7F46
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Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
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2021-06-17
公開日2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (4.79 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
6VI6
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Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate monodentately bound structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ...
著者Wang, Y, Liu, F, Yang, Y, Liu, A.
登録日2020-01-12
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VI7
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BU of 6vi7 by Molmil
Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle intermediates - a substrate bidentately bound structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ...
著者Wang, Y, Liu, F, Yang, Y, Liu, A.
登録日2020-01-12
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.617 Å)
主引用文献Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
7F0F
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BU of 7f0f by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIB
分子名称: Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE
著者Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
登録日2021-06-03
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0C
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BU of 7f0c by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIA
分子名称: Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE
著者Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
登録日2021-06-03
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
5ME9
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BU of 5me9 by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1.
分子名称: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
6VI5
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Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ...
著者Wang, Y, Liu, F, Yang, Y, Liu, A.
登録日2020-01-12
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
8EXL
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BU of 8exl by Molmil
Crystal structure of PI3K-alpha in complex with taselisib
分子名称: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
4CD0
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BU of 4cd0 by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol
分子名称: (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-29
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
7S97
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Structure of the Photoacclimated Light Harvesting Complex PC577 from Hemiselmis pacifica
分子名称: 15,16-DIHYDROBILIVERDIN, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
著者Jeffrey, P.D, Spangler, L.C, Scholes, G.D.
登録日2021-09-20
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Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
7S96
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Structure of the Light Harvesting Complex PC577 from Hemiselmis pacifica
分子名称: 15,16-DIHYDROBILIVERDIN, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
著者Jeffrey, P.D, Spangler, L.C, Scholes, G.D.
登録日2021-09-20
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
6EZP
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BU of 6ezp by Molmil
CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL
著者Banner, D.W, Benz, J, Kuglstatter, A.
登録日2017-11-16
公開日2018-04-11
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6F1F
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The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure
分子名称: GLYCEROL, Pancreatic trypsin inhibitor, SULFATE ION
著者Lansky, S, Mousa, R, Metanis, N, Shoham, G.
登録日2017-11-21
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.716 Å)
主引用文献BPTI folding revisited: switching a disulfide into methylene thioacetal reveals a previously hidden path.
Chem Sci, 9, 2018
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
分子名称: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
著者Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
登録日2014-11-21
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
8EXO
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BU of 8exo by Molmil
Crystal structure of PI3K-alpha in complex with compound 19
分子名称: 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
6UAX
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Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Sorangium cellulosum (ScGH128_II)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Santos, C.R, Costa, P.A.C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Vieira, P.S, Murakami, M.T.
登録日2019-09-11
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
1QCP
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CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A
分子名称: CALCIUM ION, CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE, PROTEIN (BETA-TRYPSIN PROTEIN)
著者Recacha, R, Carson, M, Costanzo, M.J, Maryanoff, B, Chattopadhyay, D.
登録日1999-05-10
公開日1999-05-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the RWJ-51084-bovine pancreatic beta-trypsin complex at 1.8 A.
Acta Crystallogr.,Sect.D, 55, 1999

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