6SM5
 
 | | MbC/SHP1-C-SH2 complex | | 分子名称: | MbC (monobody targeting SHP1-C-SH2), Tyrosine-protein phosphatase non-receptor type 6 | | 著者 | Mann, G, Hantschel, O. | | 登録日 | 2019-08-21 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | MbC/SHP1-C-SH2 complex
To Be Published
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6SGW
 | | Structure of the ESX-3 core complex | | 分子名称: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | | 著者 | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | | 登録日 | 2019-08-05 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Architecture of the mycobacterial type VII secretion system.
Nature, 576, 2019
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1WNT
 | | Structure of the tetrameric form of Human L-Xylulose Reductase | | 分子名称: | L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | El-Kabbani, O, Carbone, V, Darmanin, C, Ishikura, S, Hara, A. | | 登録日 | 2004-08-09 | | 公開日 | 2005-07-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the tetrameric form of human L-Xylulose reductase: Probing the inhibitor-binding site with molecular modeling and site-directed mutagenesis
Proteins, 60, 2005
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6SO0
 | | NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human chitotriosidase | | 分子名称: | Chitotriosidase-1 | | 著者 | Madland, E, Crasson, O, Vandevenne, M, Sorlie, M, Aachmann, F.L. | | 登録日 | 2019-08-28 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR and Fluorescence Spectroscopies Reveal the Preorganized Binding Site in Family 14 Carbohydrate-Binding Module from Human Chitotriosidase.
Acs Omega, 4, 2019
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6SL4
 | | The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum | | 分子名称: | CALCIUM ION, Type 3a cellulose-binding domain protein | | 著者 | Milana, M.V, Almog, R, Yaniv, O, Oded, L, Inna, R.G, Felix, F, Edward, A.B, Raphael, L. | | 登録日 | 2019-08-18 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum
To Be Published
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2HB9
 | | Crystal Structure of the Zinc-Beta-Lactamase L1 from Stenotrophomonas Maltophilia (Inhibitor 3) | | 分子名称: | 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | 登録日 | 2006-06-14 | | 公開日 | 2007-05-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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6SWH
 | | Crystal structure of the ternary complex between the type 1 pilus proteins FimC, FimI and FimA from E. coli | | 分子名称: | 1,2-ETHANEDIOL, Chaperone protein FimC, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Giese, C, Puorger, C, Ignatov, O, Weber, M, Scharer, M.A, Capitani, G, Glockshuber, R. | | 登録日 | 2019-09-20 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Comprehensive kinetic characterization of bacterial pilus rod assembly and assembly termination
To Be Published
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6T00
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6T1M
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | | 分子名称: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
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6T89
 | | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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6T9F
 | | CRYSTAL STRUCTURE OF EN ENDOGLUCANASE S308P FROM PENICILLIUM VERRUCULOSUM | | 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, Endoglucanase | | 著者 | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.24847341 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF EN ENDOGLUCANASE S308P FROM PENICILLIUM VERRUCULOSUM
To Be Published
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6T9V
 | | Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.12642729 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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1WOY
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1WY5
 | | Crystal structure of isoluecyl-tRNA lysidine synthetase | | 分子名称: | Hypothetical UPF0072 protein AQ_1887 | | 著者 | Nakanishi, K, Fukai, S, Ikeuchi, Y, Soma, A, Sekine, Y, Suzuki, T, Nureki, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-02-06 | | 公開日 | 2005-05-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural basis for lysidine formation by ATP pyrophosphatase accompanied by a lysine-specific loop and a tRNA-recognition domain.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6T8A
 | | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
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6T1J
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 2 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide | | 著者 | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
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6T1L
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 3 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide | | 著者 | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
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6TB3
 | | yeast 80S ribosome in complex with the Not5 subunit of the CCR4-NOT complex | | 分子名称: | 25S rRNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | 著者 | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | | 登録日 | 2019-10-31 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
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6T9G
 | | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase | | 著者 | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.29620671 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM
To Be Published
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2FM6
 | | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (native form) | | 分子名称: | GLYCEROL, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | 登録日 | 2006-01-07 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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1WRA
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2FU9
 | | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (mp2 inhibitor complex) | | 分子名称: | GLYCEROL, Metallo-beta-lactamase L1, N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE, ... | | 著者 | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | 登録日 | 2006-01-26 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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6T9T
 | | Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | 分子名称: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein | | 著者 | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | 登録日 | 2019-10-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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6TA5
 | | OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs | | 分子名称: | Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM | | 著者 | Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I. | | 登録日 | 2019-10-29 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
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