1AI8
 
 | | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG | | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ... | | 著者 | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | | 登録日 | 1997-05-01 | | 公開日 | 1997-10-15 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
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8FMX
 | | Langya virus F glycoprotein ectodomain in prefusion form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D. | | 登録日 | 2022-12-26 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
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7ZDU
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7ZDC
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7ZK6
 | | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZKA
 | | ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK9
 | | ABCB1 L971C mutant (mABCB1) in the inward facing state | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | | 著者 | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK5
 | | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK4
 | | The ABCB1 L335C mutant (mABCB1) in the outward facing state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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8PBO
 | | Deep interactome learning for generative drug design | | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | 登録日 | 2023-06-09 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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8P7G
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7ZD5
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7ZKB
 | | ABCB1 V978C mutant (mABCB1) in the inward facing state | | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK8
 | | ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZRB
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8D8O
 | | Cryo-EM structure of substrate unbound PAPP-A | | 分子名称: | Pappalysin-1, ZINC ION | | 著者 | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | | 登録日 | 2022-06-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2025-01-01 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
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6R5M
 | | Crystal structure of toxin MT9 from mamba venom | | 分子名称: | ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ... | | 著者 | Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L. | | 登録日 | 2019-03-25 | | 公開日 | 2020-02-12 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries
Biomed Pharmacother, 150, 2022
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1AAX
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES | | 分子名称: | 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B | | 著者 | Puius, Y.A, Zhao, Y, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | | 登録日 | 1997-01-16 | | 公開日 | 1998-03-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design.
Proc.Natl.Acad.Sci.USA, 94, 1997
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4RZS
 | | Lac repressor engineered to bind sucralose, unliganded tetramer | | 分子名称: | GLYCEROL, Lac repressor | | 著者 | Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M. | | 登録日 | 2014-12-24 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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8PPR
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2O7S
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5FMM
 | | crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT | | 著者 | Thierry, E, Pflug, A, Hart, D, Cusack, S. | | 登録日 | 2015-11-06 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
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1A0K
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8FMY
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4IQK
 | | Crystal structure of cpd 16 bound to Keap1 Kelch domain | | 分子名称: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | 著者 | Silvian, L, Marcotte, D. | | 登録日 | 2013-01-11 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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