1FP7
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![BU of 1fp7 by Molmil](/molmil-images/mine/1fp7) | MONOVALENT CATION BINDING SITES IN N10-FORMYLTETRAHYDROFOLATE SYNTHETASE FROM MOORELLA THERMOACETICA | 分子名称: | FORMATE--TETRAHYDROFOLATE LIGASE, POTASSIUM ION, SULFATE ION | 著者 | Radfar, R, Leaphart, A, Brewer, J.M, Minor, W, Odom, J.D. | 登録日 | 2000-08-30 | 公開日 | 2001-08-30 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Cation binding and thermostability of FTHFS monovalent cation binding sites and thermostability of N10-formyltetrahydrofolate synthetase from Moorella thermoacetica. Biochemistry, 39, 2000
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6TTO
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![BU of 6tto by Molmil](/molmil-images/mine/6tto) | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | 著者 | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | 登録日 | 2019-12-29 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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6TTN
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![BU of 6ttn by Molmil](/molmil-images/mine/6ttn) | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | 分子名称: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | 著者 | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | 登録日 | 2019-12-29 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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5CNA
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![BU of 5cna by Molmil](/molmil-images/mine/5cna) | REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE | 分子名称: | CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ... | 著者 | Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J. | 登録日 | 1994-02-11 | 公開日 | 1994-05-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure. Acta Crystallogr.,Sect.D, 50, 1994
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8HLT
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![BU of 8hlt by Molmil](/molmil-images/mine/8hlt) | The co-crystal structure of DYRK2 with YK-2-99B | 分子名称: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer. J.Med.Chem., 66, 2023
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3RQF
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3RQG
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3RQE
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7VUN
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![BU of 7vun by Molmil](/molmil-images/mine/7vun) | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | 分子名称: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | 著者 | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | 登録日 | 2021-11-03 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents. Acta Pharm Sin B, 12, 2022
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7EJV
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![BU of 7ejv by Molmil](/molmil-images/mine/7ejv) | The co-crystal structure of DYRK2 with YK-2-69 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | 著者 | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | 登録日 | 2021-04-02 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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6OV8
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![BU of 6ov8 by Molmil](/molmil-images/mine/6ov8) | 2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655 | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ... | 著者 | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-05-07 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis. Protein Sci., 29, 2020
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6OAD
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![BU of 6oad by Molmil](/molmil-images/mine/6oad) | 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655. | 分子名称: | 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ... | 著者 | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-03-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis. Protein Sci., 29, 2020
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1SCS
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![BU of 1scs by Molmil](/molmil-images/mine/1scs) | HIGH-RESOLUTION STRUCTURES OF SINGLE-METAL-SUBSTITUTED CONCANAVALIN A: THE CO,CA-PROTEIN AT 1.6 ANGSTROMS AND THE NI,CA-PROTEIN AT 2.0 ANGSTROMS | 分子名称: | CALCIUM ION, COBALT (II) ION, CONCANAVALIN A | 著者 | Emmerich, C, Helliwell, J.R, Redshaw, M, Naismith, J.H, Harrop, S.J, Raftery, J, Kalb, A.J, Yariv, J, Dauter, Z, Wilson, K.S. | 登録日 | 1993-12-06 | 公開日 | 1994-05-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High-resolution structures of single-metal-substituted concanavalin A: the Co,Ca-protein at 1.6 A and the Ni,Ca-protein at 2.0 A. Acta Crystallogr.,Sect.D, 50, 1994
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1SCR
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![BU of 1scr by Molmil](/molmil-images/mine/1scr) | HIGH-RESOLUTION STRUCTURES OF SINGLE-METAL-SUBSTITUTED CONCANAVALIN A: THE CO,CA-PROTEIN AT 1.6 ANGSTROMS AND THE NI,CA-PROTEIN AT 2.0 ANGSTROMS | 分子名称: | CALCIUM ION, CONCANAVALIN A, NICKEL (II) ION | 著者 | Emmerich, C, Helliwell, J.R, Redshaw, M, Naismith, J.H, Harrop, S.J, Raftery, J, Kalb, A.J, Yariv, J, Dauter, Z, Wilson, K.S. | 登録日 | 1993-12-06 | 公開日 | 1994-05-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High-resolution structures of single-metal-substituted concanavalin A: the Co,Ca-protein at 1.6 A and the Ni,Ca-protein at 2.0 A. Acta Crystallogr.,Sect.D, 50, 1994
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1JBC
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![BU of 1jbc by Molmil](/molmil-images/mine/1jbc) | CONCANAVALIN A | 分子名称: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | 著者 | Parkin, S, Rupp, B, Hope, H. | 登録日 | 1996-08-23 | 公開日 | 1997-02-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Atomic resolution structure of concanavalin A at 120 K. Acta Crystallogr.,Sect.D, 52, 1996
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2CLQ
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![BU of 2clq by Molmil](/molmil-images/mine/2clq) | Structure of mitogen-activated protein kinase kinase kinase 5 | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, STAUROSPORINE | 著者 | Bunkoczi, G, Salah, E, Fedorov, O, Pike, A, Gileadi, O, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | 登録日 | 2006-04-28 | 公開日 | 2006-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Functional Characterization of the Human Protein Kinase Ask1. Structure, 15, 2007
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7P6F
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![BU of 7p6f by Molmil](/molmil-images/mine/7p6f) | 1.93 A resolution X-ray crystal structure of the transcriptional regulator SrnR from Streptomyces griseus | 分子名称: | ACETATE ION, SODIUM ION, Transcriptional regulator SrnR | 著者 | Mazzei, L, Ciurli, S. | 登録日 | 2021-07-16 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structure, dynamics, and function of SrnR, a transcription factor for nickel-dependent gene expression. Metallomics, 13, 2021
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1CON
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![BU of 1con by Molmil](/molmil-images/mine/1con) | THE REFINED STRUCTURE OF CADMIUM SUBSTITUTED CONCANAVALIN A AT 2.0 ANGSTROMS RESOLUTION | 分子名称: | CADMIUM ION, CALCIUM ION, CONCANAVALIN A | 著者 | Naismith, J.H, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Kalb(Gilboa), A.J, Yariv, J, Wan, T.C.M, Weisgerber, S. | 登録日 | 1993-03-16 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Refined structure of cadmium-substituted concanavalin A at 2.0 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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2CTV
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3IRC
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![BU of 3irc by Molmil](/molmil-images/mine/3irc) | Crystal structure analysis of dengue-1 envelope protein domain III | 分子名称: | ENVELOPE PROTEIN, SULFATE ION | 著者 | Nelson, C.A, Kim, T, Warren, J.T, Chruszcz, M, Minor, W, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-08-21 | 公開日 | 2009-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure Analysis of the Dengue-1 Envelope Protein Domain III To be Published
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7Q19
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![BU of 7q19 by Molmil](/molmil-images/mine/7q19) | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3) | 分子名称: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | 著者 | Loch, J.I, Barciszewski, J, Pokrywka, K, Lewinski, K. | 登録日 | 2021-10-18 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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7Q2N
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![BU of 7q2n by Molmil](/molmil-images/mine/7q2n) | Beta-lactoglobulin mutant FAF (I56F/L39A/M107F) in complex with desipramine (FAF-DSM) | 分子名称: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | 著者 | Loch, J.I, Barciszewski, J, Lewinski, K. | 登録日 | 2021-10-25 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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7Q2P
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![BU of 7q2p by Molmil](/molmil-images/mine/7q2p) | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#2) | 分子名称: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | 著者 | Loch, J.I, Barciszewski, J, Pokrywka, K, Lewinski, K. | 登録日 | 2021-10-25 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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7Q17
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![BU of 7q17 by Molmil](/molmil-images/mine/7q17) | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form | 分子名称: | 1,2-ETHANEDIOL, Beta-lactoglobulin | 著者 | Loch, J.I, Barciszewski, J, Lewinski, K. | 登録日 | 2021-10-18 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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7Q2O
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![BU of 7q2o by Molmil](/molmil-images/mine/7q2o) | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#1) | 分子名称: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | 著者 | Loch, J.I, Barciszewski, J, Lewinski, K. | 登録日 | 2021-10-25 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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