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4V24
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Sphingosine kinase 1 in complex with PF-543
分子名称: ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
著者Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A.
登録日2014-10-05
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
登録日2022-11-29
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
8FDW
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BU of 8fdw by Molmil
Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane
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 protein S2, ...
著者Zhang, J, Shi, W, Cai, Y.F, Zhu, H.S, Peng, H.Q, Voyer, J, Volloch, S.R, Cao, H, Mayer, M.L, Song, K.K, Xu, C, Lu, J.M, Chen, B.
登録日2022-12-05
公開日2023-05-10
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane.
Nature, 619, 2023
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
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, Spike protein S1, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-12-20
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.304 Å)
主引用文献Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
3N2Y
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BU of 3n2y by Molmil
Crystal structure of tyrosyl-tRNA synthetase complexed with p-(2-tetrazolyl)-phenylalanine
分子名称: 4-(2H-tetrazol-2-yl)-L-phenylalanine, Tyrosyl-tRNA synthetase
著者Wu, M, Li, J, Zang, J.
登録日2010-05-19
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A biosynthetic route to photoclick chemistry on proteins
J.Am.Chem.Soc., 132, 2010
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zhang, J, Liu, H, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
8FHN
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BU of 8fhn by Molmil
Cryo-EM structure of human NCC (class 2)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHO
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BU of 8fho by Molmil
Cryo-EM structure of human NCC (class 1)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ...
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHR
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BU of 8fhr by Molmil
Cryo-EM structure of human NCC (class 3-3)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHP
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BU of 8fhp by Molmil
Cryo-EM structure of human NCC (class 3-1)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHT
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BU of 8fht by Molmil
Cryo-EM structure of human NCC
分子名称: CHLORIDE ION, SODIUM ION, Solute carrier family 12 member 3
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-15
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHQ
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BU of 8fhq by Molmil
Cryo-EM structure of human NCC (class 3-2)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
7E24
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BU of 7e24 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Chen, L, Tang, J, Yuan, S.
登録日2021-02-04
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7203 Å)
主引用文献Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E28
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BU of 7e28 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
分子名称: Oxidoreductase
著者Chen, L, Tang, J, Yuan, S.
登録日2021-02-05
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E3X
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BU of 7e3x by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S.
登録日2021-02-09
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Wang, J, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8JB4
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BU of 8jb4 by Molmil
lipopolysaccharide-binding domain-LBDB
分子名称: Antilipopolysaccharide factor D
著者Huang, J, Qin, Z.
登録日2023-05-08
公開日2024-03-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides
To Be Published
7DQA
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BU of 7dqa by Molmil
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2022-07-13
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
5KQM
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BU of 5kqm by Molmil
Co-crystal structure of LMW-PTP in complex with MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Low molecular weight phosphotyrosine protein phosphatase
著者Wang, J, Zhang, Z.-Y, Yu, Z.-H.
登録日2016-07-06
公開日2016-10-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
7YFI
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BU of 7yfi by Molmil
Structure of the Rat tri-heteromeric GluN1-GluN2A-GluN2C NMDA receptor in complex with glycine and glutamate
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, GLUTAMIC ACID, ...
著者Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
登録日2022-07-08
公開日2023-03-29
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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BU of 7yug by Molmil
Structure of human BANP BEN domain
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
6LT7
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BU of 6lt7 by Molmil
Crystal structure of human RPP20-RPP25 proteins in complex with the P3 domain of lncRNA RMRP
分子名称: 1,2-ETHANEDIOL, 50-mer RNA, Ribonuclease P protein subunit p20, ...
著者Huang, J, Yin, C.
登録日2020-01-21
公開日2021-01-27
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human RPP20-RPP25 proteins in complex with the P3 domain of lncRNA RMRP.
J.Struct.Biol., 213, 2021
7N98
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BU of 7n98 by Molmil
Cryo-EM structure of MFSD2A
分子名称: Sodium-dependent lysophosphatidylcholine symporter 1
著者Zhang, J, Feng, L.
登録日2021-06-17
公開日2021-08-04
最終更新日2021-09-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and mechanism of blood-brain-barrier lipid transporter MFSD2A.
Nature, 596, 2021
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023

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