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7Y0E
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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2024-06-19
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
7XZR
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Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7XZQ
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Crystal structure of TNIK-thiopeptide TP1 complex
分子名称: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7Y04
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Hsp90-AhR-p23 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-06-03
公開日2023-01-04
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
7XZG
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High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Cao, H, Meng, J, Ren, Y, Wan, J.
登録日2022-06-02
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+
To Be Published
7XZK
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Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine
分子名称: (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Shoji, O, Yonemura, K.
登録日2022-06-02
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine
To Be Published
7XZ5
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GPR119-Gs-LPC complex
分子名称: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Jiang, Y, Xu, H.E.
登録日2022-06-02
公開日2022-08-24
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
7XZ6
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GPR119-Gs-APD668 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Xu, P, Huang, S, Jiang, Y, Xu, H.E.
登録日2022-06-02
公開日2022-08-24
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
8D4V
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Crystal Structure of Cathepsin G Inhibited by Eap2 from S. aureus
分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D4U
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Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus
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, Extracellular Adherence Protein, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D4Q
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Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8D4S
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Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin G, C-terminal truncated form, ...
著者Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
登録日2022-06-02
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
7XYH
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Crystal structure of CK2a2 complexed with AG1112
分子名称: 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha'
著者Ikeda, A, Kinoshita, T, Tsuyuguchi, M.
登録日2022-06-01
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
8D3C
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VWF tubule derived from monomeric D1-A1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand factor
著者Anderson, J.R, Li, J, Springer, T.A, Brown, A.
登録日2022-06-01
公開日2022-07-06
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of VWF tubules before and after concatemerization reveal a mechanism of disulfide bond exchange.
Blood, 140, 2022
8D3F
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Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST
分子名称: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST
著者Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D.
登録日2022-06-01
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
8D3D
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BU of 8d3d by Molmil
VWF tubule derived from dimeric D1-A1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand factor
著者Anderson, J.R, Li, J, Springer, T.A, Brown, A.
登録日2022-06-01
公開日2022-07-06
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of VWF tubules before and after concatemerization reveal a mechanism of disulfide bond exchange.
Blood, 140, 2022
8D39
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The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
分子名称: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-06-01
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
8D4F
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beta-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Hooy, R.M, Hurley, J.H.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
8D4E
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Asymmetric unit of AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Hooy, R.M, Hurley, J.H.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (9.2 Å)
主引用文献Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
7XYD
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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2024-06-19
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
8D4G
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BU of 8d4g by Molmil
gamma-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated wide(r) membrane tubes
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Hooy, R.M, Hurley, J.H.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
8D4D
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gamma-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated narrow membrane tubes
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Hooy, R.M, Hurley, J.H.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (9.6 Å)
主引用文献Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
8D4C
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beta-Arf1 mediated dimeric assembly of AP-1, Arf1, Nef complex within lattice on MHC-I lipopeptide incorporated narrow membrane tubes
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Hooy, R.M, Hurley, J.H.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (9.3 Å)
主引用文献Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
8D40
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Crystal structure of human CELSR1 EC1-4
分子名称: CALCIUM ION, Cadherin EGF LAG seven-pass G-type receptor 1, SODIUM ION
著者Tamilselvan, E, Sotomayor, M.
登録日2022-06-01
公開日2023-08-30
実験手法X-RAY DIFFRACTION (3.554 Å)
主引用文献Crystal structure of human CELSR1 EC1-4
to be published
8D3G
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Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024

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件を2024-07-10に公開中

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