5QBV
 
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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5QBY
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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7BPU
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2HK9
 | | Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | | 登録日 | 2006-07-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
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2HK8
 | | Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution | | 分子名称: | Shikimate dehydrogenase | | 著者 | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | | 登録日 | 2006-07-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
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2HK7
 | | Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution | | 分子名称: | MERCURY (II) ION, Shikimate dehydrogenase | | 著者 | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | | 登録日 | 2006-07-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
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2RFS
 | | X-ray structure of SU11274 bound to c-Met | | 分子名称: | Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | | 著者 | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | 登録日 | 2007-10-01 | | 公開日 | 2007-11-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
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2RFN
 | | x-ray structure of c-Met with inhibitor. | | 分子名称: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | 著者 | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | 登録日 | 2007-10-01 | | 公開日 | 2007-11-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
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1Q2P
 | | SHV-1 class A beta-lactamase complexed with penem WAY185229 | | 分子名称: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1 | | 著者 | Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R. | | 登録日 | 2003-07-25 | | 公開日 | 2004-09-14 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
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1Q2Q
 | | Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229 | | 分子名称: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase | | 著者 | Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R. | | 登録日 | 2003-07-25 | | 公開日 | 2004-09-14 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
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1JNK
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6PJV
 | | Structure of Human Sonic Hedgehog in complex with Zinc and Magnesium | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Bonn-Breach, R.B, Jenkins, J.L, Wedekind, J.E. | | 登録日 | 2019-06-28 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Structure of Sonic Hedgehog protein in complex with zinc(II) and magnesium(II) reveals ion-coordination plasticity relevant to peptide drug design.
Acta Crystallogr D Struct Biol, 75, 2019
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7TB5
 | | Structure of P. aeruginosa PA17 CapW | | 分子名称: | SULFATE ION, WYL domain-containing protein | | 著者 | Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D. | | 登録日 | 2021-12-21 | | 公開日 | 2022-01-19 | | 最終更新日 | 2022-06-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Control of bacterial immune signaling by a WYL domain transcription factor.
Nucleic Acids Res., 50, 2022
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7TB6
 | | Structure of S. maltophilia CapW | | 分子名称: | S. maltophilia CapW, SULFATE ION | | 著者 | Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D. | | 登録日 | 2021-12-21 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Control of bacterial immune signaling by a WYL domain transcription factor.
Nucleic Acids Res., 50, 2022
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3EFW
 | | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | | 分子名称: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | | 著者 | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | | 登録日 | 2008-09-10 | | 公開日 | 2008-12-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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8IVA
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV4
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV8
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV5
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IX3
 | | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | | 分子名称: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | | 著者 | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | | 登録日 | 2023-03-31 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
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8GTA
 | | Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid | | 分子名称: | Major capsid protein | | 著者 | Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-07 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTB
 | | Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | | 分子名称: | Major tail protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTD
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | | 分子名称: | Head-to-tail joining protein, Portal protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTC
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | | 分子名称: | Distal tail protein, Hub protein, Major tail protein, ... | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTF
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex | | 分子名称: | Head-to-tail joining protein, Major tail protein, Terminator protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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