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PDB: 22600 件
8PMO
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BU of 8pmo by Molmil
Crystal structure of human V122I transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2023-06-29
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
2NL8
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BU of 2nl8 by Molmil
The origin binding domain of the SV40 large T antigen bound non specifically to a 17 bp palindrome DNA (sites 1 and 3)
分子名称: 18-nt PEN element of the SV40 DNA origin, large T antigen
著者Martynowski, D, Bochkareva, E, Bochkarev, A.
登録日2006-10-19
公開日2006-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the origin-binding domain of simian virus 40 large T antigen bound to DNA
Embo J., 25, 2006
8PW0
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Manganese-dependent transcriptional repressor DR2539 complexed with manganese and bound to dr1709 promotor
分子名称: DNA (5'-D(*TP*AP*TP*TP*TP*TP*AP*GP*GP*CP*GP*CP*GP*AP*CP*TP*AP*AP*AP*AP*T)-3'), GLYCEROL, Iron dependent repressor, ...
著者Mota, C, De Sanctis, D.
登録日2023-07-18
公開日2024-05-08
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 291, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PTI
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BU of 8pti by Molmil
CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
登録日1990-12-17
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PQX
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BU of 8pqx by Molmil
p97 (VCP) mutant - F539A state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2023-07-12
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献p97 (VCP) mutant - F539A state III
To Be Published
3IGK
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BU of 3igk by Molmil
Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs (p53-DNA complex 2)
分子名称: Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ZINC ION
著者Suad, O, Rabinovich, D, Rozenberg, H, Shakked, Z.
登録日2009-07-28
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs
Nat.Struct.Mol.Biol., 17, 2010
2ND2
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BU of 2nd2 by Molmil
Solution structure of the de novo mini protein gHHH_06
分子名称: De novo mini protein HHH_06
著者Pulavarti, S.V, Eletsky, A, Bahl, C.D, Buchko, G.W, Baker, D, Szyperski, T.
登録日2016-04-22
公開日2016-09-21
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6RV3
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BU of 6rv3 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
8PO3
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6RPK
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BU of 6rpk by Molmil
non-expanded bat circovirus with DNA VLP
分子名称: Capsid protein
著者Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S.
登録日2019-05-14
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献non-expanded bat circovirus with DNA VLP
To Be Published
6RPO
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bat circovirus without DNA VLP
分子名称: bat circovirus capsid protein
著者Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S.
登録日2019-05-14
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献bat circovirus without DNA VLP
To Be Published
6RPS
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BU of 6rps by Molmil
X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment
分子名称: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
著者Alterio, V, Esposito, D, De Simone, G.
登録日2019-05-14
公開日2019-11-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex.
J.Mol.Biol., 431, 2019
2N41
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BU of 2n41 by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
分子名称: OR34
著者Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-16
公開日2016-03-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
3ILE
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BU of 3ile by Molmil
Crystal structure of ORF157-E86A of Acidianus filamentous virus 1
分子名称: NICKEL (II) ION, Putative uncharacterized protein
著者Goulet, A, Lichiere, J, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-08-07
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
6RTS
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BU of 6rts by Molmil
Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with NAD+
分子名称: ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I.
登録日2019-05-26
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6RH6
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BU of 6rh6 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163
分子名称: AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1
著者Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T.
登録日2019-04-18
公開日2019-09-04
実験手法SOLUTION NMR
主引用文献Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
8PCD
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BU of 8pcd by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCM
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BU of 8pcm by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 80 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCR
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BU of 8pcr by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 750 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
2NPE
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An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance
分子名称: ACETATE ION, Ammonia channel, SULFATE ION
著者Lupo, D, Winkler, F.K.
登録日2006-10-27
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance
J.Biol.Chem., 281, 2006

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件を2024-10-16に公開中

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