6U8I
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![BU of 6u8i by Molmil](/molmil-images/mine/6u8i) | BRD4-BD2 in complex with the cyclic peptide 3.2_2 | 分子名称: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2 | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | 登録日 | 2019-09-05 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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7CXC
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7CWJ
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7CTL
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6UDR
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![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | 分子名称: | S2-3, Lurch crystal form 1 | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | 登録日 | 2019-09-19 | 公開日 | 2020-09-23 | 最終更新日 | 2020-12-02 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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7CTM
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7CWP
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6UGN
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![BU of 6ugn by Molmil](/molmil-images/mine/6ugn) | Human Carbonic Anhydrase 2 complexed with SB4-205 | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | 著者 | Murray, A.B, Supuran, C.T, McKenna, R. | 登録日 | 2019-09-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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6UHU
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7DKN
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![BU of 7dkn by Molmil](/molmil-images/mine/7dkn) | Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase | 分子名称: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | 著者 | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | 登録日 | 2020-11-25 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DKP
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7DRK
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![BU of 7drk by Molmil](/molmil-images/mine/7drk) | Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine diphosphate-diacylglycerol | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ... | 著者 | Yang, B.W, Liu, Z.F. | 登録日 | 2020-12-28 | 公開日 | 2021-12-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface. Curr Res Struct Biol, 3, 2021
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7D8E
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![BU of 7d8e by Molmil](/molmil-images/mine/7d8e) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | 分子名称: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | 著者 | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | 登録日 | 2020-10-08 | 公開日 | 2021-12-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 To Be Published
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7DRJ
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![BU of 7drj by Molmil](/molmil-images/mine/7drj) | Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, ACETIC ACID, ... | 著者 | Yang, B.W, Liu, Z.F. | 登録日 | 2020-12-28 | 公開日 | 2021-12-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface. Curr Res Struct Biol, 3, 2021
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7DMM
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7DQR
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![BU of 7dqr by Molmil](/molmil-images/mine/7dqr) | Crystal structure of Sulfurisphaera tokodaii methylated O6-methylguanine methyltransferase | 分子名称: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | 著者 | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsonoda, M. | 登録日 | 2020-12-24 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DQQ
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![BU of 7dqq by Molmil](/molmil-images/mine/7dqq) | Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase Y91F/C120S variant in complex with O6-methyldeoxyguanosine | 分子名称: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, Methylated-DNA--protein-cysteine methyltransferase | 著者 | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | 登録日 | 2020-12-24 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DQT
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![BU of 7dqt by Molmil](/molmil-images/mine/7dqt) | Crystal structure of O6-methylguanine methyltransferase Y91F variant | 分子名称: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | 著者 | Kikuchi, M, Iizuka, Y, Yamauchi, T, Tsunoda, M. | 登録日 | 2020-12-24 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DPO
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![BU of 7dpo by Molmil](/molmil-images/mine/7dpo) | Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound | 分子名称: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | 著者 | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | 登録日 | 2020-12-21 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.29994035 Å) | 主引用文献 | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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7DPN
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![BU of 7dpn by Molmil](/molmil-images/mine/7dpn) | Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound | 分子名称: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | 著者 | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | 登録日 | 2020-12-20 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79998839 Å) | 主引用文献 | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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7DSU
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![BU of 7dsu by Molmil](/molmil-images/mine/7dsu) | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V | 分子名称: | 1,2-ETHANEDIOL, Mbo45V, SINEFUNGIN | 著者 | Ahmed, I, Chouhan, O.P, Gopinath, A, Morgan, R.D, Bhagat, K, Singh, A, Saikrishnan, K. | 登録日 | 2021-01-02 | 公開日 | 2022-01-05 | 最終更新日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V To Be Published
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7D66
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7DLM
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![BU of 7dlm by Molmil](/molmil-images/mine/7dlm) | Short chain dehydrogenase (SCR) crystal structure with NADPH | 分子名称: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | 登録日 | 2020-11-28 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLD
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![BU of 7dld by Molmil](/molmil-images/mine/7dld) | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | 分子名称: | Carbonyl Reductase, MAGNESIUM ION | 著者 | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | 登録日 | 2020-11-27 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7E5V
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![BU of 7e5v by Molmil](/molmil-images/mine/7e5v) | Crystal structure of Phm7 in complex with inhibitor | 分子名称: | Diels-Alderase, GLYCEROL, SULFATE ION, ... | 著者 | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | 登録日 | 2021-02-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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