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PDB: 53012 件

7QKE
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
8D2W
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Zebrafish MFSD2A isoform B in inward open ligand 2B conformation
分子名称: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
著者Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
登録日2022-05-30
公開日2023-05-10
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
6O1B
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Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-18
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
7B9F
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Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex
分子名称: EccB5, EccC5, EccD5, ...
著者Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the mycobacterial ESX-5 type VII secretion system pore complex.
Sci Adv, 7, 2021
7BJD
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Crystal structure of CHK1-10pt-mutant complex with compound 3
分子名称: 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
6CUE
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BU of 6cue by Molmil
Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, Envelope glycoprotein gp120, ...
著者Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-03-26
公開日2018-07-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6VYB
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SARS-CoV-2 spike ectodomain structure (open state)
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, Spike glycoprotein
著者Walls, A.C, Park, Y.J, Tortorici, M.A, Wall, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Veesler, D.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein.
Cell, 181, 2020
7BJH
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BU of 7bjh by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 8
分子名称: CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
著者Xu, J.H, Wolan, D.W.
登録日2019-07-25
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
8CZE
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BU of 8cze by Molmil
Structure of a Xenopus Nucleosome with Widom 601 DNA
分子名称: Histone H2A, Histone H2B, Histone H3, ...
著者Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D.
登録日2022-05-24
公開日2023-06-07
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
7QNN
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BU of 7qnn by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-21
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
8D2T
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BU of 8d2t by Molmil
Zebrafish MFSD2A isoform B in inward open ligand-free conformation
分子名称: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
著者Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
登録日2022-05-30
公開日2023-05-10
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
6G9X
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Crystal structure of a MFS transporter at 2.54 Angstroem resolution
分子名称: 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ...
著者Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
登録日2018-04-11
公開日2019-07-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
7BJK
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BU of 7bjk by Molmil
Crystal structure of the chloroplastic Fe superoxide dismutase PAP9 from Arabidopsis thaliana.
分子名称: Superoxide dismutase [Fe] 2, chloroplastic, ZINC ION
著者Cobessi, D, Blanvillain, R, Pfannschmidt, T.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Plastid-Encoded RNA Polymerase-Associated Protein PAP9 Is a Superoxide Dismutase With Unusual Structural Features.
Front Plant Sci, 12, 2021
8D2X
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Zebrafish MFSD2A isoform B in inward open ligand 3C conformation
分子名称: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
著者Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
登録日2022-05-30
公開日2023-05-10
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
7BJE
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BU of 7bje by Molmil
Crystal structure of CHK1-10pt-mutant complex with adenine
分子名称: ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Surgenor, A.E, Williamson, D.S.
登録日2021-01-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7B9S
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BU of 7b9s by Molmil
Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex
分子名称: EccB5, EccC5, EccD5, ...
著者Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the mycobacterial ESX-5 type VII secretion system pore complex.
Sci Adv, 7, 2021
8FCA
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Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate
分子名称: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
7BKN
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Crystal structure of CHK1 complex with adenine
分子名称: ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Baker, L.M, Surgenor, A.E, Williamson, D.S.
登録日2021-01-16
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
6Q3E
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BU of 6q3e by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 274.4 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-04
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
7BJT
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Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT
分子名称: Alginate lyase, family PL17, CALCIUM ION, ...
著者Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A.
登録日2021-01-14
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
7QOP
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A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
分子名称: CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ...
著者Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
登録日2021-12-24
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
6NDG
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BU of 6ndg by Molmil
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH YTTRIUM BOUND
分子名称: AMMONIUM ION, CHLORIDE ION, Integrin alpha-2, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH YTTRIUM BOUND
To be published
7Z0L
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BU of 7z0l by Molmil
IL-27 signalling 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, Interleukin-27 receptor subunit alpha, ...
著者Jin, Y, Gardner, S, Bubeck, D.
登録日2022-02-23
公開日2022-07-27
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights into the assembly and activation of the IL-27 signaling complex.
Embo Rep., 23, 2022
8D9Z
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Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody
分子名称: ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ...
著者Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D.
登録日2022-06-12
公開日2023-06-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Venom protection by antibody from a snakebite hyperimmune subject
To Be Published

223166

件を2024-07-31に公開中

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