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8FLQ
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BU of 8flq by Molmil
Human PTH1R in complex with PTH(1-34) and Gs
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Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M.
登録日2022-12-22
公開日2023-04-26
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
8FLS
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Human PTH1R in complex with Abaloparatide and Gs
分子名称: Abaloparatide, 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Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M.
登録日2022-12-22
公開日2023-04-26
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Molecular insights into peptide agonist engagement with the PTH receptor.
Structure, 31, 2023
6PB0
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BU of 6pb0 by Molmil
Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 1 receptor in complex with Gs protein and Nb35
分子名称: CHOLESTEROL, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
登録日2019-06-12
公開日2020-02-12
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
2LVL
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BU of 2lvl by Molmil
NMR Structure the lantibiotic immunity protein SpaI
分子名称: SpaI
著者Christ, N, Bochmann, S, Gottstein, D, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Guentert, P, Entian, K, Woehnert, J.
登録日2012-07-06
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The First Structure of a Lantibiotic Immunity Protein, SpaI from Bacillus subtilis, Reveals a Novel Fold.
J.Biol.Chem., 287, 2012
6PB1
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BU of 6pb1 by Molmil
Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35
分子名称: CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
登録日2019-06-12
公開日2020-02-12
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
4CST
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BU of 4cst by Molmil
Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile
分子名称: 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
6B3J
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BU of 6b3j by Molmil
3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex
分子名称: Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D.
登録日2017-09-22
公開日2018-02-21
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex.
Nature, 555, 2018
4CSS
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BU of 4css by Molmil
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
分子名称: 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
1KVK
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BU of 1kvk by Molmil
The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase
著者Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J.
登録日2002-01-26
公開日2002-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of a Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
J.Biol.Chem., 277, 2002
2LIU
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BU of 2liu by Molmil
NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula
分子名称: CurA
著者Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V.
登録日2011-09-01
公開日2011-12-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase.
Acs Chem.Biol., 7, 2012
2M4V
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BU of 2m4v by Molmil
Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors
分子名称: Putative uncharacterized protein
著者Bortoluzzi, A, Muskett, F.W, Waters, L.C, Addis, P.W, Rieck, B, Munder, T, Schleier, S, Forti, F, Ghisotti, D, Carr, M.D, O'Hare, H.M.
登録日2013-02-11
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mycobacterium tuberculosis RNA polymerase-binding protein A (RbpA) and its interactions with sigma factors.
J.Biol.Chem., 288, 2013
4A93
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BU of 4a93 by Molmil
RNA Polymerase II elongation complex containing a CPD Lesion
分子名称: 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*T*TTP*TP*TP*CP*C BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*GP*CP*TP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP*AP)-3', ...
著者Walmacq, C, Cheung, A.C.M, Kireeva, M.L, Lubkowska, L, Ye, C, Gotte, D, Strathern, J.N, Carell, T, Cramer, P, Kashlev, M.
登録日2011-11-23
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Mechanism of Translesion Transcription by RNA Polymerase II and its Role in Cellular Resistance to DNA Damage.
Mol.Cell, 46, 2012
4ACU
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BU of 4acu by Molmil
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
分子名称: (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
登録日2011-12-19
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4ACX
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
分子名称: (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
登録日2011-12-20
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
5KYK
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BU of 5kyk by Molmil
Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs
分子名称: 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas
著者Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S.
登録日2016-07-21
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6ST9
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Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant
分子名称: CHLORIDE ION, Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6STA
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BU of 6sta by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
2XHD
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BU of 2xhd by Molmil
Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor
分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P.
登録日2010-06-14
公開日2010-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
6D9H
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BU of 6d9h by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A.
登録日2018-04-29
公開日2018-06-20
最終更新日2018-07-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the adenosine-bound human adenosine A1receptor-Gicomplex.
Nature, 558, 2018
6E3Y
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BU of 6e3y by Molmil
Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor
分子名称: Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M.
登録日2018-07-16
公開日2018-09-19
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018
7KI0
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BU of 7ki0 by Molmil
Semaglutide-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in Complex with Gs protein
分子名称: 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, X, Belousoff, M.J, Danev, R, Sexton, P.M, Wootten, D.
登録日2020-10-22
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structure and dynamics of semaglutide- and taspoglutide-bound GLP-1R-Gs complexes.
Cell Rep, 36, 2021

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