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8J1D
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Cryo-EM structure of apo state mTRPV4
分子名称: Transient receptor potential cation channel subfamily V member 4
著者Zhen, W.X, Yang, F.
登録日2023-04-12
公開日2023-08-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1B
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GSK101 and Ruthenium Red bound state of mTRPV4
分子名称: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
著者Zhen, W.X, Yang, F.
登録日2023-04-12
公開日2023-08-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
7N44
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Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)
分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
著者Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2021-06-03
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
1F9I
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CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT Y42F
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D.
登録日2000-07-10
公開日2000-07-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
8UHL
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ATAD2B bromodomain in complex with histone H4 acetylated at lysine 12
分子名称: ATPase family AAA domain-containing protein 2B, Histone H4
著者Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C.
登録日2023-10-09
公開日2024-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
8UK5
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Crystal structure of the bromodomain of human ATAD2B in complex with histone H4S1(ph)K5ac
分子名称: ATPase family AAA domain-containing protein 2B, Histone H4S1(ph)K5ac
著者Montgomery, C, Phillips, M, Nix, J.C, Glass, K.C.
登録日2023-10-12
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-04-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
6MFP
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Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1
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, CHLORIDE ION, ...
著者Tolbert, W.D, Young, B, Pazgier, M.
登録日2018-09-11
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
1F98
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CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D.
登録日2000-07-07
公開日2000-07-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
7XSA
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Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
分子名称: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
分子名称: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Gao, M.
登録日2022-05-13
公開日2023-05-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
5FDP
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Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
分子名称: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
6K08
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Crystal structure of REV7(R124A/A135D) in complex with a Shieldin3 fragment
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3
著者Zhang, F, Dai, Y.
登録日2019-05-05
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structural basis for shieldin complex subunit 3-mediated recruitment of the checkpoint protein REV7 during DNA double-strand break repair.
J.Biol.Chem., 295, 2020
4I9U
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Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
分子名称: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
3FJ4
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Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-14
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
5WWU
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Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-05
公開日2018-01-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5BQL
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BU of 5bql by Molmil
Fluorescent protein cyOFP
分子名称: Fluorescent protein cyOFP
著者Sens, A, Ataie, N, Ng, H.L, Lin, M.Z, Chu, J.
登録日2015-05-29
公開日2016-06-01
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A Guide to Fluorescent Protein FRET Pairs.
Sensors Basel Sensors, 16, 2016
5WXC
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Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2)
分子名称: Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
分子名称: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5W77
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Solution structure of the MYC G-quadruplex bound to small molecule DC-34
分子名称: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
著者Chen, X, Walters, K.J.
登録日2017-06-19
公開日2018-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
4I8X
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Crystal structure of rabbit LDHA in complex with AP27460
分子名称: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
7T2P
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The Envelope Glycoprotein SIVmac239.K180S SOSIP trimer in complex with 3 copies of the neutralizing antibody K11
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-06
公開日2022-10-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus.
Nat Commun, 13, 2022
7T4G
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The Envelope Glycoprotein SIVmac239.K180S SOSIP trimer in complex with 3 copies of the neutralizing antibody K11
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-09
公開日2022-10-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus.
Nat Commun, 13, 2022

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