6D4U
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![BU of 6d4u by Molmil](/molmil-images/mine/6d4u) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | 分子名称: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4W
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![BU of 6d4w by Molmil](/molmil-images/mine/6d4w) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | 分子名称: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4S
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![BU of 6d4s by Molmil](/molmil-images/mine/6d4s) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4T
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![BU of 6d4t by Molmil](/molmil-images/mine/6d4t) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | 分子名称: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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5J5R
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![BU of 5j5r by Molmil](/molmil-images/mine/5j5r) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-04-03 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis. ACS Infect Dis, 3, 2017
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6D4Q
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![BU of 6d4q by Molmil](/molmil-images/mine/6d4q) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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7SVT
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![BU of 7svt by Molmil](/molmil-images/mine/7svt) | Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | 分子名称: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | 著者 | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2021-11-19 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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7DLK
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![BU of 7dlk by Molmil](/molmil-images/mine/7dlk) | Crystal Structure of veratryl alcohol bound Dye Decolorizing peroxidase from Bacillus subtilis | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Dhankhar, P, Dalal, V, Kumar, P. | 登録日 | 2020-11-27 | 公開日 | 2021-11-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol. Int.J.Biol.Macromol., 193, 2021
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5OU1
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![BU of 5ou1 by Molmil](/molmil-images/mine/5ou1) | M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | 分子名称: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OU3
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![BU of 5ou3 by Molmil](/molmil-images/mine/5ou3) | M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080) | 分子名称: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OU2
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![BU of 5ou2 by Molmil](/molmil-images/mine/5ou2) | M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744) | 分子名称: | 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2017-08-23 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5BOL
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![BU of 5bol by Molmil](/molmil-images/mine/5bol) | DNA polymerase beta ternary complex with a templating 5ClC and incoming dGTP analog | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CDO)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | 著者 | Freudenthal, B.D, Wilson, S.H. | 登録日 | 2015-05-27 | 公開日 | 2015-08-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer. Proc.Natl.Acad.Sci.USA, 112, 2015
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5BPC
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5BOM
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![BU of 5bom by Molmil](/molmil-images/mine/5bom) | DNA polymerase beta binary complex with a templating 5ClC | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*(4U3)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | 著者 | Freudenthal, B.D, Wilson, S.H. | 登録日 | 2015-05-27 | 公開日 | 2015-08-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.0002 Å) | 主引用文献 | Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer. Proc.Natl.Acad.Sci.USA, 112, 2015
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8I0Z
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![BU of 8i0z by Molmil](/molmil-images/mine/8i0z) | Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine) | 分子名称: | Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ... | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | 登録日 | 2023-01-12 | 公開日 | 2023-05-17 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (4.33 Å) | 主引用文献 | Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation. Mol.Cell, 83, 2023
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8I0Q
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![BU of 8i0q by Molmil](/molmil-images/mine/8i0q) | Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine) | 分子名称: | Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ... | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | 登録日 | 2023-01-11 | 公開日 | 2023-05-17 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (4.45 Å) | 主引用文献 | Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation. Mol.Cell, 83, 2023
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8I10
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![BU of 8i10 by Molmil](/molmil-images/mine/8i10) | Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R (Local refine) | 分子名称: | Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ... | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | 登録日 | 2023-01-12 | 公開日 | 2023-05-17 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | 主引用文献 | Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation. Mol.Cell, 83, 2023
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8GF7
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![BU of 8gf7 by Molmil](/molmil-images/mine/8gf7) | Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein | 著者 | Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M. | 登録日 | 2023-03-07 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology. Nat.Chem.Biol., 20, 2024
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8E7J
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![BU of 8e7j by Molmil](/molmil-images/mine/8e7j) | |
8I9L
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![BU of 8i9l by Molmil](/molmil-images/mine/8i9l) | Structure of C3a-C3aR-Go complex (Composite map) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I9S
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![BU of 8i9s by Molmil](/molmil-images/mine/8i9s) | Structure of Apo-C3aR-Go complex (Titan) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I95
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![BU of 8i95 by Molmil](/molmil-images/mine/8i95) | Structure of EP54-C3aR-Go complex | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8IA2
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![BU of 8ia2 by Molmil](/molmil-images/mine/8ia2) | Structure of C5a bound human C5aR1 in complex with Go (Composite map) | 分子名称: | Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I97
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![BU of 8i97 by Molmil](/molmil-images/mine/8i97) | Structure of Apo-C3aR-Go complex (Glacios) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8I9A
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![BU of 8i9a by Molmil](/molmil-images/mine/8i9a) | Structure of EP54-C3aR-Gq complex | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-06 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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