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6TCA
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Phosphorylated p38 and MAPKAPK2 complex with inhibitor
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
著者Sok, P, Remenyi, A.
登録日2019-11-05
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
6UW6
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Cryo-EM structure of the human TRPV3 K169A mutant determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW9
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Cryo-EM structure of the human TRPV3 K169A mutant in the presence of 2-APB, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UVS
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Human Connexin-26 (Low pH open conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
6UW4
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Cryo-EM structure of human TRPV3 determined in lipid nanodisc
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UVP
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BACE-1 in complex with compound #3
分子名称: Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ...
著者Hendle, J, Timm, D.E.
登録日2019-11-04
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6UW2
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Clotrimazole bound complex of Acanthamoeba castellanii CYP51
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ...
著者Sharma, V, Podust, L.M.
登録日2019-11-04
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
6UVY
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BACE-1 in complex with compound #18
分子名称: (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E.
登録日2019-11-04
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6UVV
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BACE-1 in complex with compound #17
分子名称: (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E.
登録日2019-11-04
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6UW8
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Cryo-EM structure of the human TRPV3 K169A mutant briefly exposed to 2-APB for 3 minutes, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6TC2
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Monoclinic human insulin in complex with p-coumaric acid
分子名称: 4'-HYDROXYCINNAMIC ACID, Insulin, PHOSPHATE ION, ...
著者Triandafillidis, D.-P, Parthenios, N, Spiliopoulou, M, Valmas, A, Kosinas, C, Gozzo, F, Reinle-Schmitt, M, Beckers, D, Degen, T, Pop, M, Fitch, A, Wollenhaupt, J, Weiss, M.S, Karavassili, F, Margiolaki, I.
登録日2019-11-04
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction.
Acta Crystallogr D Struct Biol, 76, 2020
6UVR
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Human Connexin-26 (Neutral pH open conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2020-05-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
6UVT
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Human Connexin-26 (Low pH closed conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献A Steric 'Ball-and-Chain' Mechanism for pH-Mediated Regulation of Gap Junction Channels
Cell Rep, 31, 2020
6L7K
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solution structure of hIFABP V60C/Y70C variant.
分子名称: Fatty acid-binding protein, intestinal
著者Fan, J, Yang, D.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening.
Biophys.J., 118, 2020
6UVA
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CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide
分子名称: Calcitonin gene-related peptide type 1 receptor, 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Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-11-01
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6UUS
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CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-31
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6TAY
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Mouse RNF213 mutant R4753K modeling the Moyamoya-disease-related Human variant R4810K
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ...
著者Ahel, J, Meinhart, A, Haselbach, D, Clausen, T.
登録日2019-10-31
公開日2020-07-01
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
6TB2
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Structure of human haptoglobin-hemoglobin bound to S. aureus IsdH
分子名称: Cell wall surface anchor family protein, Haptoglobin, Hemoglobin subunit alpha, ...
著者Mikkelsen, J.H, Andersen, C.B.F.
登録日2019-10-31
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Haptoglobin is an inhibitor of Staphylococcus aureus IsdH-mediated heme-sequestering
To Be Published
6TAX
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Mouse RNF213 wild type protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ...
著者Ahel, J, Meinhart, A, Haselbach, D, Clausen, T.
登録日2019-10-31
公開日2020-07-01
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
6UUI
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Crystal structure of the heterocomplex between coil 2B domains of wild-type keratin 1 (KRT1) and keratin 10 (KRT10) containing mutation Cys401Ala
分子名称: GLYCEROL, Keratin, type I cytoskeletal 10, ...
著者Lomakin, I.B, Bunick, C.G.
登録日2019-10-30
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Crystal Structure of Keratin 1/10(C401A) 2B Heterodimer Demonstrates a Proclivity for the C-Terminus of Helix 2B to Form Higher Order Molecular Contacts.
Yale J Biol Med, 93, 2020
6UUN
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CryoEM Structure of the active Adrenomedullin 1 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-30
公開日2020-03-25
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6TAM
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X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
分子名称: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Friberg, A, Nguyen, D.
登録日2019-10-30
公開日2020-04-08
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
6TAN
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X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17)
分子名称: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Hillig, R.C, Eis, K, Badock, V.
登録日2019-10-30
公開日2020-04-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
6L6O
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Crystal structure of stabilized Rab5a GTPase domain from Leishmania donovani
分子名称: ACETATE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Arora, A, Zohib, M, Biswal, B.K, Maheshwari, D, Pal, R.K.
登録日2019-10-29
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani.
Acta Crystallogr.,Sect.F, 76, 2020
6L6R
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Crystal structure of LRP6 E1E2-SOST complex
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, ACETATE ION, ...
著者Choi, H.-J, Kim, J.
登録日2019-10-29
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Sclerostin inhibits Wnt signaling through tandem interaction with two LRP6 ectodomains.
Nat Commun, 11, 2020

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