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7KBK
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BU of 7kbk by Molmil
Ricin bound to VHH antibody V6E11
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ...
著者Rudolph, M.J.
登録日2020-10-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KDM
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BU of 7kdm by Molmil
Ricin bound to VHH antibody V5G6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-RON nanobody, CHLORIDE ION, ...
著者Rudolph, M.J.
登録日2020-10-08
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KD0
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BU of 7kd0 by Molmil
Ricin bound to VHH antibody V2C11
分子名称: 1,2-ETHANEDIOL, Anti-RON nanobody, CHLORIDE ION, ...
著者Rudolph, M.J.
登録日2020-10-07
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.768 Å)
主引用文献Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KC9
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BU of 7kc9 by Molmil
Ricin bound to VHH antibody V5G1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ricin chain A, ...
著者Rudolph, M.J.
登録日2020-10-05
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
5KBL
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BU of 5kbl by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), E110Q Mutant
分子名称: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
著者Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
登録日2016-06-03
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.414 Å)
主引用文献The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
5WNY
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BU of 5wny by Molmil
DNA polymerase beta substrate complex with incoming 5-FdUTP
分子名称: 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ...
著者Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D.
登録日2017-08-01
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
7JW4
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BU of 7jw4 by Molmil
Crystal structure of PdGH110B in complex with D-galactose
分子名称: CHLORIDE ION, Glycoside hydrolase family 110, NICKEL (II) ION, ...
著者Hettle, A.G, Boraston, A.B.
登録日2020-08-24
公開日2020-11-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.342 Å)
主引用文献The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
著者Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
登録日2016-06-09
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
7ECS
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BU of 7ecs by Molmil
Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Malonate and NADPH
分子名称: GLYCEROL, Glutamate dehydrogenase, MALONATE ION, ...
著者Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P.
登録日2021-03-13
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
5KBM
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BU of 5kbm by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), D113N Mutant
分子名称: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
著者Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
登録日2016-06-03
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
7EGU
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BU of 7egu by Molmil
Structure of human NNMT in complex with macrocyclic peptide X
分子名称: Nicotinamide N-methyltransferase, macrocyclic peptide X
著者Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M.
登録日2021-03-26
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
7K7P
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BU of 7k7p by Molmil
Structure of SARS-CoV-2 nonstuctural protein 1
分子名称: Host translation inhibitor nsp1
著者Green, T.J, Petit, C.M, Clark, L.K.
登録日2020-09-23
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of Nonstructural Protein 1 from SARS-CoV-2.
J.Virol., 95, 2021
7LAU
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BU of 7lau by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-IN-1
分子名称: 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 2
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2021-01-06
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
5YY1
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BU of 5yy1 by Molmil
Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
著者Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
登録日2017-12-07
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
7LAI
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BU of 7lai by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2
著者Karim, M.R, Bikowitz, M, Schonbrunn, E.
登録日2021-01-06
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
5JR4
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BU of 5jr4 by Molmil
Crystal structure of FimH A27V/V163A from E. coli UTI89 bound to FimG N-terminal extension
分子名称: CALCIUM ION, FimG N-terminal extension, GLYCEROL, ...
著者Kalas, V, Hultgren, S.J.
登録日2016-05-05
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Evolutionary fine-tuning of conformational ensembles in FimH during host-pathogen interactions.
Sci Adv, 3, 2017
7LKQ
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BU of 7lkq by Molmil
The PilZ(delta107-117)-FimX(GGDEF-EAL) complex from Xanthomonas citri
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX(GGDEF-EAL), MAGNESIUM ION, ...
著者Llontop, E.E, Guzzo, C.R, Farah, C.S.
登録日2021-02-02
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The PilB-PilZ-FimX regulatory complex of the Type IV pilus from Xanthomonas citri.
Plos Pathog., 17, 2021
7LKO
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BU of 7lko by Molmil
The PilB(N-terminal)-PilZ complex of the Type IV pilus from Xanthomonas citri (2.9 A)
分子名称: Pilus biogenesis protein, SULFATE ION, Type IV fimbriae assembly protein
著者Llontop, E.E, Guzzo, C.R, Farah, C.S.
登録日2021-02-02
公開日2021-08-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献The PilB-PilZ-FimX regulatory complex of the Type IV pilus from Xanthomonas citri.
Plos Pathog., 17, 2021
1Y6V
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BU of 1y6v by Molmil
Structure of E. coli Alkaline Phosphatase in presence of cobalt at 1.60 A resolution
分子名称: Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ...
著者Wang, J, Stieglitz, K, Kantrowitz, E.R.
登録日2004-12-07
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,).
Biochemistry, 44, 2005
5JVX
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BU of 5jvx by Molmil
X-ray structure of the adduct formed in the reaction between thaumatin and a gold carbene compound
分子名称: (1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold, CHLORIDE ION, L(+)-TARTARIC ACID, ...
著者Ferraro, G, Merlino, A.
登録日2016-05-11
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献First Crystal Structure for a Gold Carbene-Protein Adduct.
Bioconjug.Chem., 27, 2016
5Z7E
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BU of 5z7e by Molmil
Horse Heart Myoglobin Mutant - H93M
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yi, J.
登録日2018-01-28
公開日2019-01-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Horse Heart Myoglobin Mutant - H93M
To Be Published
7L8I
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BU of 7l8i by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21)
分子名称: 3C-like proteinase, 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
著者Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A.
登録日2020-12-31
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Biochemistry, 60, 2021
5ZDK
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BU of 5zdk by Molmil
Crystal Structure Analysis of TtQRS in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ...
著者Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
登録日2018-02-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
5VNR
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BU of 5vnr by Molmil
X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
著者Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
登録日2017-05-01
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
7M6U
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BU of 7m6u by Molmil
Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2
分子名称: Carboxypeptidase G2 circular permuation pro-domain fusion, SULFATE ION, ZINC ION
著者Yachnin, B.J, Khare, S.D.
登録日2021-03-26
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Massively parallel, computationally guided design of a proenzyme.
Proc.Natl.Acad.Sci.USA, 119, 2022

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件を2024-08-21に公開中

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