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1QIR
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BU of 1qir by Molmil
ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191Y MUTATION, WITH BOUND MALEATE
分子名称: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D.
登録日1999-06-15
公開日2000-06-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of Residues Outside the Active Site in Catalysis: Structural Basis for Function of C191 Mutants of E. Coli Aspartate Aminotransferase
Protein Eng., 13, 2000
6JKH
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BU of 6jkh by Molmil
The NAD+-bound form of human NSDHL
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
著者Kim, D, Lee, S.J, Lee, B.
登録日2019-02-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
5JRA
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BU of 5jra by Molmil
Nitric oxide complex of the L16V mutant of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: ASCORBIC ACID, Cytochrome c', HEME C, ...
著者Kekilli, D, Strange, R.W, Hough, M.A.
登録日2016-05-06
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design.
Chem Sci, 8, 2017
5C3H
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BU of 5c3h by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1
分子名称: 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-17
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
分子名称: MANGANESE (II) ION, PppA
著者Wang, T, Liu, L, Wu, Y, Li, D.
登録日2019-03-02
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
5C3L
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BU of 5c3l by Molmil
Structure of the metazoan Nup62.Nup58.Nup54 nucleoporin complex.
分子名称: Nanobody Nb15, Nucleoporin Nup58, Nucleoporin Nup62, ...
著者Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D.
登録日2015-06-17
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015
6JM4
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BU of 6jm4 by Molmil
The crystal structure of PB1 homo-dimer of human P62/SQSTM1
分子名称: Sequestosome-1
著者Shin, H.C, Lim, D, Kim, S.J.
登録日2019-03-07
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.20014834 Å)
主引用文献Oligomer Model of PB1 Domain of p62/SQSTM1 Based on Crystal Structure of Homo-Dimer and Calculation of Helical Characteristics.
Mol.Cells, 42, 2019
8R3Z
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BU of 8r3z by Molmil
Cryo-EM structure of the Asgard archaeal Argonaute HrAgo1 bound to a guide RNA
分子名称: HrAgo1, MAGNESIUM ION, RNA (5'-R(P*UP*GP*AP*GP*GP*U*(MG))-3')
著者Finocchio, G, Swarts, D, Jinek, M.
登録日2023-11-10
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献RNA-guided RNA silencing by an Asgard archaeal Argonaute.
Nat Commun, 15, 2024
5CBT
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BU of 5cbt by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
5ME0
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BU of 5me0 by Molmil
Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S.
登録日2016-11-14
公開日2017-01-11
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
5ZU3
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BU of 5zu3 by Molmil
Effect of mutation (R554K) on FAD modification in Aspergillus oryzae RIB40formate oxidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Formate oxidase, ...
著者Mikami, B, Uchida, H, Doubayashi, D.
登録日2018-05-06
公開日2019-05-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The microenvironment surrounding FAD mediates its conversion to 8-formyl-FAD in Aspergillus oryzae RIB40 formate oxidase.
J.Biochem., 166, 2019
5C7A
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BU of 5c7a by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7
分子名称: (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-24
公開日2015-08-12
最終更新日2015-09-09
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5JVG
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BU of 5jvg by Molmil
The large ribosomal subunit from Deinococcus radiodurans in complex with avilamycin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 50S ribosomal protein L11, ...
著者Krupkin, M, Wekselman, I, Matzov, D, Eyal, Z, Diskin Posner, Y, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
登録日2016-05-11
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.428 Å)
主引用文献Avilamycin and evernimicin induce structural changes in rProteins uL16 and CTC that enhance the inhibition of A-site tRNA binding.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JYH
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BU of 5jyh by Molmil
Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi
分子名称: Hge-scorpine
著者Flores-Solis, D, Rodriguez De La Vega, R, del Rio-Portilla, F.
登録日2016-05-13
公開日2016-06-29
最終更新日2020-01-15
実験手法SOLUTION NMR
主引用文献Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi.
Febs Lett., 590, 2016
6JSF
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BU of 6jsf by Molmil
Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
登録日2019-04-08
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
3WPO
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BU of 3wpo by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1i)
分子名称: CHLORIDE ION, Trimeric autotransporter adhesin
著者Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
登録日2014-01-14
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
5C2U
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BU of 5c2u by Molmil
Ferredoxin-like domain of nucleoporin Nup54 bound to a nanobody
分子名称: Nanobody, Nup54
著者Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D.
登録日2015-06-16
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015
6JRL
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BU of 6jrl by Molmil
Crystal structure of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
分子名称: 3,4-dihydroxyphenylacetaldehyde synthase
著者Wei, S, Vavrick, C.J, Guan, H, Liao, C, Robinson, H, Liang, J, Wang, D, Han, Q, Li, J.
登録日2019-04-04
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the bifunctional mechanism of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
To Be Published
5BZ3
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BU of 5bz3 by Molmil
CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.
分子名称: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter
著者Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D.
登録日2015-06-11
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
6JRF
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BU of 6jrf by Molmil
Crystal structure of ZmMoc1-Holliday junction Complex in the presence of Calcium
分子名称: CALCIUM ION, DNA (33-MER), Monokaryotic chloroplast 1, ...
著者Lin, Z, Lin, H, Zhang, D, Yuan, C.
登録日2019-04-03
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
5K85
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BU of 5k85 by Molmil
Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W, SSGCID
登録日2016-05-27
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A FROM CRYPTOCOCCUS NEOFORMANS H99
To Be Published
5JT0
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BU of 5jt0 by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+
分子名称: (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ...
著者Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
5BZ6
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BU of 5bz6 by Molmil
Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-06-11
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
5JP1
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BU of 5jp1 by Molmil
Structure of Xanthomonas campestris effector protein XopD bound to tomato SUMO
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, MALONATE ION, Small ubiquitin-related modifier, ...
著者Pruneda, J.N, Komander, D.
登録日2016-05-03
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
6JT3
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BU of 6jt3 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I.
登録日2019-04-08
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019

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