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4MCB
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BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
6UCH
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BU of 6uch by Molmil
SMARCB1 nucleosome-interacting C-terminal alpha helix
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Valencia, A.M, Sun, Z.Y.J, Seo, H.S, Vangos, H.S, Yeoh, Z.C, Mashtalir, N, Dhe-Paganon, S, Kadoch, C.
登録日2019-09-16
公開日2019-11-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Recurrent SMARCB1 Mutations Reveal a Nucleosome Acidic Patch Interaction Site That Potentiates mSWI/SNF Complex Chromatin Remodeling.
Cell, 179, 2019
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
分子名称: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
3N2R
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BU of 3n2r by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2010-05-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 18, 2010
4OWT
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BU of 4owt by Molmil
Structural basis of SOSS1 complex assembly
分子名称: Integrator complex subunit 3, SOSS complex subunit B1, SOSS complex subunit C
著者Ren, W, Sun, Q, Tang, X, Song, H.
登録日2014-02-03
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
4OWX
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BU of 4owx by Molmil
Structural basis of SOSS1 in complex with a 12nt ssDNA
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Integrator complex subunit 3, SOSS complex subunit B1
著者Ren, W, Sun, Q, Tang, X, Song, H.
登録日2014-02-04
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
6IIC
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BU of 6iic by Molmil
CryoEM structure of Mud Crab Dicistrovirus
分子名称: VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ...
著者Zhang, Q, Gao, Y.
登録日2018-10-04
公開日2019-01-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
6IZL
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BU of 6izl by Molmil
Cryo-EM structure of Mud crab tombus-like virus at 3.3 Angstroms resolution
分子名称: mud crab tombus-like virus
著者Zhang, Q, Gao, Y.
登録日2018-12-19
公開日2019-01-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
8IJS
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BU of 8ijs by Molmil
anti-VEGF nanobody mutant
分子名称: ZINC ION, anti-VEGF nanobody
著者Qian, F, Zhu, S.Q.
登録日2023-02-28
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8IIU
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BU of 8iiu by Molmil
anti-VEGF nanobody
分子名称: SULFATE ION, anti-VEGF nanobody
著者Qian, F, Zhu, S.Q.
登録日2023-02-24
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8IJZ
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anti-VEGF mutant
分子名称: anti-VEGF nanobody
著者Qian, F, Zhu, S.Q.
登録日2023-02-28
公開日2023-12-27
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
4RQU
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BU of 4rqu by Molmil
Alcohol Dehydrogenase crystal structure in complex with NAD
分子名称: Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Xu, Y.W.
登録日2014-11-05
公開日2014-12-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Biochimie, 108C, 2014
4Q6I
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BU of 4q6i by Molmil
Crystal structure of murine 2D5 Fab, a potent anti-CD4 HIV-1-neutralizing antibody in complex with CD4
分子名称: Heavy chain of murine 2D5 Fab, Light chain of murine 2D5 Fab, T-cell surface glycoprotein CD4
著者Boyington, J.C, Nabel, G.J, Mascola, J.R.
登録日2014-04-22
公開日2014-07-23
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Neutralizing antibodies to HIV-1 envelope protect more effectively in vivo than those to the CD4 receptor.
Sci Transl Med, 6, 2014
4RQT
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Alcohol Dehydrogenase Crystal Structure
分子名称: ACETIC ACID, Alcohol dehydrogenase class-P, SULFATE ION, ...
著者Xu, Y.W.
登録日2014-11-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Biochimie, 108C, 2014

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