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8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
3VAX
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BU of 3vax by Molmil
Crystal structure of DndA from streptomyces lividans
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA
著者Zhang, Z, Chen, F, Lin, K, Wu, G.
登録日2011-12-30
公開日2013-01-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation
Plos One, 7, 2012
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
分子名称: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Harris, S.F, Smith, M, Barker, J.
登録日2018-11-01
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
5W5Q
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BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
分子名称: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P.
登録日2017-06-15
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
6O8L
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BU of 6o8l by Molmil
Crystal Structure of C9S apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
分子名称: Transcriptional regulator, ArsR family
著者Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2019-03-11
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8O
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BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
分子名称: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
著者Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2019-03-11
公開日2020-04-01
最終更新日2020-12-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
著者Li, B, Yuan, Z, Qin, L, Gu, L.
登録日2016-01-30
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
分子名称: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
著者Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2019-03-11
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
2FBP
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BU of 2fbp by Molmil
STRUCTURE REFINEMENT OF FRUCTOSE-1,6-BISPHOSPHATASE AND ITS FRUCTOSE 2,6-BISPHOSPHATE COMPLEX AT 2.8 ANGSTROMS RESOLUTION
分子名称: FRUCTOSE 1,6-BISPHOSPHATASE
著者Ke, H, Thorpe, C.M, Seaton, B.A, Marcus, F, Lipscomb, W.N.
登録日1990-06-07
公開日1992-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure refinement of fructose-1,6-bisphosphatase and its fructose 2,6-bisphosphate complex at 2.8 A resolution.
J.Mol.Biol., 212, 1990
2OQO
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BU of 2oqo by Molmil
Crystal structure of a peptidoglycan glycosyltransferase from a class A PBP: insight into bacterial cell wall synthesis
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Penicillin-binding protein 1A (PBP-1a) (PBP1a)
著者Yuan, Y, Sliz, P, Walker, S.
登録日2007-01-31
公開日2007-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a peptidoglycan glycosyltransferase suggests a model for processive glycan chain synthesis.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6IRA
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BU of 6ira by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6LOR
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BU of 6lor by Molmil
crystal structure of alpha-momorcharin in complex with ADP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOW
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BU of 6low by Molmil
crystal structure of alpha-momorcharin in complex with GMP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LNY
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BU of 6lny by Molmil
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
著者Wang, H, Shang, L.Q.
登録日2020-01-02
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.245 Å)
主引用文献Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
8IK2
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BU of 8ik2 by Molmil
RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis
分子名称: (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase
著者Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T.
登録日2023-02-28
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
6IRH
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BU of 6irh by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6LOV
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BU of 6lov by Molmil
crystal structure of alpha-momorcharin in complex with xanthosine
分子名称: 2,3-dihydroxanthosine, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
6LOQ
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BU of 6loq by Molmil
crystal structure of alpha-momorcharin in complex with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.331 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOY
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BU of 6loy by Molmil
crystal structure of alpha-momorcharin in complex with dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
8QCS
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BU of 8qcs by Molmil
Cryo-EM structure of the inward-facing FLVCR1
分子名称: Heme transporter FLVCR1
著者Weng, T.-H, Wu, D, Safarian, S.
登録日2023-08-28
公開日2024-04-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QD0
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BU of 8qd0 by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR2
分子名称: CHOLINE ION, Heme transporter FLVCR2
著者Weng, T.-H, Wu, D, Safarian, S.
登録日2023-08-28
公開日2024-04-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QCT
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BU of 8qct by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR1
分子名称: CHOLINE ION, Heme transporter FLVCR1
著者Weng, T.-H, Wu, D, Safarian, S.
登録日2023-08-28
公開日2024-04-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024

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