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8STQ
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Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STP
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BU of 8stp by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STN
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BU of 8stn by Molmil
Crystal structure of KRAS-G12D/G75A mutant, GDP-bound
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2023-05-10
公開日2023-08-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
8STM
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BU of 8stm by Molmil
Crystal structure of KRAS-G75A mutant, GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2023-05-10
公開日2023-08-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
8STL
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BU of 8stl by Molmil
Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha
分子名称: Nanobody PIK3_Nb16, SULFATE ION
著者Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S.
登録日2023-05-10
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of isoform specific nanobodies for Class I PI3Ks
To be published
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
分子名称: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
著者Duvall, J.R, Bukhalid, R.A.
登録日2023-05-10
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STH
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human STING with diABZI agonist 15
分子名称: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
著者Duvall, J.R, Bukhalid, R.A.
登録日2023-05-10
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STG
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BU of 8stg by Molmil
Discovery and clinical validation of RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
分子名称: Fibroblast growth factor receptor 2, N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
著者Valverde, R, Foster, L.
登録日2023-05-10
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations.
Cancer Discov, 13, 2023
8STE
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BU of 8ste by Molmil
Cryo-EM structure of NKCC1 Fu_CTD
分子名称: 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2
著者Moseng, M.A.
登録日2023-05-10
公開日2023-05-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
8STD
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BU of 8std by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2
分子名称: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
登録日2023-05-10
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
8STC
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BU of 8stc by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate.
分子名称: MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
登録日2023-05-09
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate.
To be published
8STB
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BU of 8stb by Molmil
The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
分子名称: CHLORIDE ION, GLYCEROL, Glyoxalase, ...
著者Luo, Z, Jia, X, Yan, X, Qu, X, Kobe, B.
登録日2023-05-09
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The crystal structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX.
To Be Published
8STA
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BU of 8sta by Molmil
Isobutyryl-CoA mutase fused in the presence of GMPPCP
分子名称: Isobutyryl-CoA mutase fused
著者Vaccaro, F.A, Drennan, C.L.
登録日2023-05-09
公開日2023-08-09
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Structural insight into G-protein chaperone-mediated maturation of a bacterial adenosylcobalamin-dependent mutase.
J.Biol.Chem., 299, 2023
8ST9
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BU of 8st9 by Molmil
Structure of E3 ligase NleL bound to ubiquitin
分子名称: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
著者Franklin, T.G, Pruneda, J.N.
登録日2023-05-09
公開日2023-07-12
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST8
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BU of 8st8 by Molmil
Structure of E3 ligase SopA bound to ubiquitin
分子名称: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
著者Franklin, T.G, Pruneda, J.N.
登録日2023-05-09
公開日2023-07-12
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST7
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BU of 8st7 by Molmil
Structure of E3 ligase VsHECT bound to ubiquitin
分子名称: E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine
著者Franklin, T.G, Pruneda, J.N.
登録日2023-05-09
公開日2023-07-12
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST6
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BU of 8st6 by Molmil
Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
分子名称: SODIUM ION, Streptococcal hemagglutinin, methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside
著者Stubbs, H.E, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
To Be Published
8ST5
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Streptococcus gordonii str. Challis Hsa bound to Neu5Ac
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, SODIUM ION, Streptococcal hemagglutinin
著者Morrison, K.M.A, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec +Unique Domains bound to Neu5Ac alpha2, 3 Gal
To Be Published
8ST4
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BU of 8st4 by Molmil
The 2alpha3beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, IgG1 Heavy Chain, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structure of the 2alpha3beta stoichiometry of the human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine
To Be Published
8ST3
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BU of 8st3 by Molmil
The 2alpha3beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, CALCIUM ION, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structure of the 2alpha3beta stoichiometry of the human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
To Be Published
8ST2
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The 3alpha2beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, IgG1 Heavy Chain, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structure of the 3alpha2beta stoichiometry of the human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine
To Be Published
8ST1
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BU of 8st1 by Molmil
The 3alpha2beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, CALCIUM ION, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structure of the 3alpha2beta stoichiometry of the human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
To Be Published
8ST0
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BU of 8st0 by Molmil
The 2alpha3beta stoichiometry of full-length human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, IgG1 Heavy Chain, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure of the 2alpha3beta stoichiometry of the full-length human alpha4beta2 nicotinic receptor in complex with acetylcholine
To Be Published
8SSZ
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BU of 8ssz by Molmil
The 2alpha3beta stoichiometry of full-length human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, CALCIUM ION, ...
著者Kang, G, Hibbs, R.E.
登録日2023-05-09
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structure of the 2alpha3beta stoichiometry of the full-length human alpha4beta2 nicotinic receptor in complex with acetylcholine and calcium
To Be Published
8SSY
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BU of 8ssy by Molmil
Room-temperature X-ray structure of Thermus thermophilus serine hydroxymethyltransferase (SHMT) bound with D-Ser in a pseudo-Michaelis complex
分子名称: D-SERINE, SULFATE ION, Serine hydroxymethyltransferase
著者Drago, V.N, Kovalevsky, A.
登録日2023-05-09
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023

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件を2024-07-17に公開中

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