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7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
分子名称: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
著者Graedler, U, Lammens, A.
登録日2022-05-24
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7S0S
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BU of 7s0s by Molmil
M. tuberculosis ribosomal RNA methyltransferase TlyA bound to M. smegmatis 50S ribosomal subunit
分子名称: 16S/23S rRNA (Cytidine-2'-O)-methyltransferase TlyA, 23S rRNA, 50S ribosomal protein L10, ...
著者Laughlin, Z.T, Dunham, C.M, Conn, G.L.
登録日2021-08-31
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献50S subunit recognition and modification by the Mycobacterium tuberculosis ribosomal RNA methyltransferase TlyA.
Proc.Natl.Acad.Sci.USA, 119, 2022
4ZHX
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BU of 4zhx by Molmil
Novel binding site for allosteric activation of AMPK
分子名称: (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ...
著者Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E.
登録日2015-04-27
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
5A03
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BU of 5a03 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with xylose
分子名称: 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Taberman, H, Rouvinen, J, Parkkinen, T.
登録日2015-04-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
5A05
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BU of 5a05 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with maltotriose
分子名称: ALDOSE-ALDOSE OXIDOREDUCTASE, MALONATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Taberman, H, Rouvinen, J, Parkkinen, T.
登録日2015-04-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
5A04
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BU of 5a04 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glucose
分子名称: 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Taberman, H, Rouvinen, J, Parkkinen, T.
登録日2015-04-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
8BTZ
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BU of 8btz by Molmil
Single-stranded Paranemic Crossover RNA Triangle (PXT)
分子名称: RNA Paranemic croosover triangle (PXT)
著者Sampedro, N, McRae, E.K.S, Andersen, E.S.
登録日2022-11-30
公開日2022-12-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (5.39 Å)
主引用文献An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly.
Small, 19, 2023
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
分子名称: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-01-18
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6GQ5
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BU of 6gq5 by Molmil
Crystal Structure of the PSMalpha3 Peptide Mutant L15A Forming Cross-Alpha Amyloid-like Fibril
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Phenol-soluble modulin alpha 3 peptide
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
8BU8
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BU of 8bu8 by Molmil
Double-motif Single-stranded Paranemic Crossover RNA Triangle (2PXT)
分子名称: RNA (354-MER)
著者Sampedro, N, Andersen, E.S, McRae, E.K.S.
登録日2022-11-30
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (6.56 Å)
主引用文献An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly.
Small, 19, 2023
6GQ2
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BU of 6gq2 by Molmil
Crystal Structure of the PSMalpha3 Peptide Mutant K12A Forming Cross-Alpha Amyloid-like Fibril
分子名称: Phenol-soluble modulin alpha 3 peptide, SULFATE ION
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
6GQC
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BU of 6gqc by Molmil
Crystal Structure of the PSMalpha3 Peptide Mutant G16A Forming Cross-Alpha Amyloid-like Fibril
分子名称: CHLORIDE ION, Phenol-soluble modulin alpha 3 peptide, SODIUM ION
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
6S8Z
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BU of 6s8z by Molmil
Elongation Factor P from Corynebacterium glutamicum
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Elongation factor P, ...
著者Schneider, S, Scheidler, C.M.
登録日2019-07-11
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Function of an Elongation Factor P Subfamily in Actinobacteria.
Cell Rep, 30, 2020
6KVH
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BU of 6kvh by Molmil
The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, endo-polygalacturonase
著者Tu, T, Wang, Z, Luo, H, Yao, B.
登録日2019-09-04
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021
8D8R
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BU of 8d8r by Molmil
SARS-CoV-2 Spike RBD in complex with DMAb 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8D8Q
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BU of 8d8q by Molmil
SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8F5K
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BU of 8f5k by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110A mutant
分子名称: Azurin, COPPER (II) ION
著者Zeug, M, Offenbacher, A.R, Choe, J.
登録日2022-11-14
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
8F5L
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BU of 8f5l by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Zeug, M, Offenbacher, A.R, Choe, J.
登録日2022-11-14
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
5A02
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BU of 5a02 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glycerol
分子名称: ALDOSE-ALDOSE OXIDOREDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Taberman, H, Rouvinen, J, Parkkinen, T.
登録日2015-04-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
8PPW
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BU of 8ppw by Molmil
Structure of human PARK7 in complex with GK16S
分子名称: (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Grethe, C, Gersch, M.
登録日2023-07-10
公開日2024-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PQ0
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BU of 8pq0 by Molmil
Structure of human PARK7 in complex with GK16R
分子名称: (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7
著者Grethe, C, Gersch, M.
登録日2023-07-10
公開日2024-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PW1
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BU of 8pw1 by Molmil
Structure of human UCHL1 in complex with CG341 inhibitor
分子名称: (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Grethe, C, Gersch, M.
登録日2023-07-19
公開日2024-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
7NA6
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BU of 7na6 by Molmil
Cryo-EM structure of AAV True Type
分子名称: Capsid protein VP1
著者Bennett, A.D, McKenna, R.
登録日2021-06-19
公開日2021-09-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Comparative structural, biophysical, and receptor binding study of true type and wild type AAV2.
J.Struct.Biol., 213, 2021
8A4C
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BU of 8a4c by Molmil
Structure of human Rep15:Rab3B complex.
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab15 effector protein, ...
著者Rai, A, Vetter, I.R, Goody, R.S.
登録日2022-06-10
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector.
Nat Commun, 13, 2022
8A4B
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BU of 8a4b by Molmil
Structure of human Rep15:Rab3B_Q81L complex.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab15 effector protein, ...
著者Rai, A, Vetter, I.R, Goody, R.S.
登録日2022-06-10
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector.
Nat Commun, 13, 2022

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