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8X1H
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Crystal structure of N-terminal domain of Nucleocapsid protein of SARS-CoV-2
分子名称: GLYCEROL, Nucleoprotein
著者Kumari, S, Gupta, G.D.
登録日2023-11-07
公開日2023-11-22
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unveiling potential inhibitors targeting the nucleocapsid protein of SARS-CoV-2: Structural insights into their binding sites.
Int.J.Biol.Macromol., 273, 2024
8W0C
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BU of 8w0c by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor
分子名称: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-02-13
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor
To be published
9BUN
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BU of 9bun by Molmil
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
分子名称: 5-carboxy methylrhodamine, IRIDIUM HEXAMMINE ION, RNA (48-MER)
著者Batey, R.T, Siwik, S.H.
登録日2024-05-17
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of RhoBAST RNA aptamer in complex with 5(6)-carboxytetramethylrhodamine (TAMRA)
To Be Published
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8TX5
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BU of 8tx5 by Molmil
Crystal structure of an engineered variant of galactose oxidase, GOaseRd4BB, from Fusarium graminearum
分子名称: COPPER (II) ION, GLYCEROL, Galactose oxidase
著者Selvaraj, B, Orth, P.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Chemrxiv, 2023
8WRA
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BU of 8wra by Molmil
The Crystal Structure of CASP1 from Biortus
分子名称: 1,2-ETHANEDIOL, Caspase-1
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
登録日2023-10-13
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Crystal Structure of CASP1 from Biortus.
To Be Published
8UAS
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BU of 8uas by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a
分子名称: 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
著者Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
登録日2023-09-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
9FEB
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BU of 9feb by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae in complex with NADP
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SDR family oxidoreductase
著者Kapur, B, Nar, H.
登録日2024-05-17
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
8X2S
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BU of 8x2s by Molmil
The Crystal Structure of BPGM from Biortus
分子名称: 1,2-ETHANEDIOL, Bisphosphoglycerate mutase
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
登録日2023-11-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of BPGM from Biortus
To Be Published
8UAJ
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BU of 8uaj by Molmil
Succinate Bound Crystal Structure of Thermus scotoductus SA-01 Ene-reductase
分子名称: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, SUCCINIC ACID
著者Wilson, L.A, Guddat, L, Schenk, G, Scott, C.
登録日2023-09-21
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8VJ2
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BU of 8vj2 by Molmil
Crystal Structure of Macrophage migration inhibitory factor-1 (MIF1) from Onchocerca volvulus
分子名称: Macrophage migration inhibitory factor-1, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-01-05
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Macrophage migration inhibitory factor-1 (MIF1) from Onchocerca volvulus
To be published
9EU6
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BU of 9eu6 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23j
分子名称: (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
8XE7
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BU of 8xe7 by Molmil
Crystal structure of human Sirt2 without Sirt2-specific insertion
分子名称: NAD-dependent protein deacetylase sirtuin-2, ZINC ION
著者Konuma, T, Akashi, S.
登録日2023-12-11
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biophysical insights into the dimer formation of human Sirtuin 2.
Protein Sci., 33, 2024
8YQ4
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BU of 8yq4 by Molmil
Structure of mBaoJin2
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V.
登録日2024-03-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of mBaoJin2
To Be Published
9EU7
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BU of 9eu7 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 15b
分子名称: (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
8ZN3
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BU of 8zn3 by Molmil
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ...
著者Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
登録日2024-05-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
8WAB
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BU of 8wab by Molmil
Crystal structure of a chondroitin sulfate-binding carbohydrate binding module of a chondroitinase
分子名称: DNRLRE domain-containing protein
著者Liu, G.C, Chang, Y.G.
登録日2023-09-07
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a carbohydrate binding module at 2.2 Angstroms resolution
To Be Published
8UKV
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BU of 8ukv by Molmil
Crystal structure of nanobody/VHH domain of 34E5 in complex with the extracellular region of the epidermal growth factor variant III (EGFRvIII)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Stayrook, S.E, Ferguson, K.M, Bagchi, A.
登録日2023-10-15
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structural insights into the role and targeting of EGFRvIII.
Structure, 2024
8UVL
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BU of 8uvl by Molmil
Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site
分子名称: 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A.
登録日2023-11-03
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8YYR
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BU of 8yyr by Molmil
Structure of the HitB T293G mutant
分子名称: Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate
著者Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T.
登録日2024-04-04
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB.
Chembiochem, 2024
8Y33
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A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2024-01-28
公開日2024-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8X2R
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BU of 8x2r by Molmil
The Crystal Structure of HSP 90-alpha from Biortus.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
登録日2023-11-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Crystal Structure of HSP 90-alpha from Biortus.
To Be Published
9BJL
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Crystal structure of Influenza D virus Nucleoprotein (Oklahoma)
分子名称: CHLORIDE ION, Nucleoprotein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-04-25
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystal structure of Influenza D virus Nucleoprotein (Oklahoma)
To be published

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件を2024-07-17に公開中

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