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8EHE
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BU of 8ehe by Molmil
Structure of Tannerella forsythia potempin C in complex with mirolase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Gomis-Ruth, F.X.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
7SJQ
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BU of 7sjq by Molmil
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine-dense peptide, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2021-10-18
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
8BM0
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BU of 8bm0 by Molmil
Structure of GroEL:GroES-ATP complex plunge frozen 200 ms after reaction initiation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
著者Dhurandhar, M, Torino, S, Efremov, R.
登録日2022-11-10
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting.
Nat.Methods, 20, 2023
7Z0U
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BU of 7z0u by Molmil
Crystal structure of AtWRKY18 DNA-binding domain in complex with W-box DNA
分子名称: DNA (5'-D(*CP*GP*CP*CP*TP*TP*GP*AP*CP*CP*AP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*TP*GP*GP*TP*CP*AP*AP*GP*GP*CP*G)-3'), WRKY transcription factor 18, ...
著者Grzechowiak, M, Jaskolski, M, Ruszkowski, M.
登録日2022-02-23
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献New aspects of DNA recognition by group II WRKY transcription factor revealed by structural and functional study of AtWRKY18 DNA binding domain.
Int.J.Biol.Macromol., 213, 2022
7Z0R
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BU of 7z0r by Molmil
AtWRKY18 DNA-binding domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NITRATE ION, ...
著者Grzechowiak, M, Jaskolski, M, Ruszkowski, M.
登録日2022-02-23
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献New aspects of DNA recognition by group II WRKY transcription factor revealed by structural and functional study of AtWRKY18 DNA binding domain.
Int.J.Biol.Macromol., 213, 2022
5AXI
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BU of 5axi by Molmil
Crystal structure of Cbl-b TKB domain in complex with Cblin
分子名称: CALCIUM ION, CHLORIDE ION, Cblin, ...
著者Ohno, A, Maita, N, Ochi, A, Nakao, R, Nikawa, T.
登録日2015-07-29
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the TKB domain of ubiquitin ligase Cbl-b complexed with its small inhibitory peptide, Cblin
Arch.Biochem.Biophys., 594, 2016
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
分子名称: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
著者Capelli, D, Pochetti, G, Montanari, R.
登録日2022-05-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.434 Å)
主引用文献Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
4D08
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BU of 4d08 by Molmil
PDE2a catalytic domain in complex with a brain penetrant inhibitor
分子名称: 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
著者Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y.
登録日2014-04-24
公開日2014-08-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
6T29
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BU of 6t29 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.484 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi Protein Complex
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(i) subunit alpha-1, ...
著者Wang, H, Kobilka, B.
登録日2022-02-24
公開日2022-12-07
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
6Z6C
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BU of 6z6c by Molmil
Crystal structurel of FleA lectin in complex with a monovalent inhibitor
分子名称: 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside, Fucose-specific lectin, GLYCEROL, ...
著者Varrot, A.
登録日2020-05-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Hexavalent thiofucosides to probe the role of the Aspergillus fumigatus lectin FleA in fungal pathogenicity.
Org.Biomol.Chem., 19, 2021
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
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(i) subunit alpha-1, ...
著者Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
登録日2022-02-24
公開日2022-05-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
4D09
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BU of 4d09 by Molmil
PDE2a catalytic domain in complex with a brain penetrant inhibitor
分子名称: CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ...
著者Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y.
登録日2014-04-24
公開日2014-08-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
6HGR
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BU of 6hgr by Molmil
Crystal Structure of Human APRT wild type in complex with IMP
分子名称: Adenine phosphoribosyltransferase, INOSINIC ACID
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2018-08-23
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
J.Biol.Chem., 294, 2019
6HGQ
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BU of 6hgq by Molmil
Crystal Structure of Human APRT wild type in complex with Hypoxanthine, PRPP and Mg2+
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Adenine phosphoribosyltransferase, GLYCEROL, ...
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2018-08-23
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
J.Biol.Chem., 294, 2019
6HGS
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BU of 6hgs by Molmil
Crystal Structure of Human APRT wild type in complex with GMP
分子名称: Adenine phosphoribosyltransferase, GUANOSINE-5'-MONOPHOSPHATE
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2018-08-23
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
J.Biol.Chem., 294, 2019
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
登録日2010-04-15
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
5HKW
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BU of 5hkw by Molmil
Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
分子名称: E3 ubiquitin-protein ligase CBL, SODIUM ION
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
To be published
6HGP
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BU of 6hgp by Molmil
Crystal Structure of Human APRT wild type in complex with Phosphate ion.
分子名称: Adenine phosphoribosyltransferase, PHOSPHATE ION
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2018-08-23
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
J.Biol.Chem., 294, 2019
5HKY
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BU of 5hky by Molmil
Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
5HKZ
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BU of 5hkz by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
分子名称: E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
5I14
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BU of 5i14 by Molmil
Truncated and mutated T4 lysozyme
分子名称: NICKEL (II) ION, mutated and truncated T4 lysozyme
著者Klima, M, Boura, E.
登録日2016-02-05
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Protein Sci., 26, 2017

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