6OOJ
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![BU of 6ooj by Molmil](/molmil-images/mine/6ooj) | CTX-M-14 Beta Lactamase with Compound 14 | 分子名称: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | 著者 | Kemp, M, Chen, Y. | 登録日 | 2019-04-23 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
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5TZ2
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![BU of 5tz2 by Molmil](/molmil-images/mine/5tz2) | Crystal structure of human CD47 ECD bound to Fab of C47B222 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C47B222 Fab Heavy Chain, ... | 著者 | Cardoso, R.M.F. | 登録日 | 2016-11-21 | 公開日 | 2017-03-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | 主引用文献 | Anti-leukemic activity and tolerability of anti-human CD47 monoclonal antibodies. Blood Cancer J, 7, 2017
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5TZT
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6ZY9
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![BU of 6zy9 by Molmil](/molmil-images/mine/6zy9) | Cryo-EM structure of MlaFEDB in complex with AMP-PNP | 分子名称: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ... | 著者 | Dong, C.J, Dong, H.H. | 登録日 | 2020-07-30 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB. Nat.Struct.Mol.Biol., 28, 2021
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6PBD
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![BU of 6pbd by Molmil](/molmil-images/mine/6pbd) | DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ... | 著者 | Horton, J.R, Cheng, X, Woodcock, C.B. | 登録日 | 2019-06-13 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | 主引用文献 | The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site. Nat Commun, 10, 2019
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2K8H
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![BU of 2k8h by Molmil](/molmil-images/mine/2k8h) | |
7RFK
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![BU of 7rfk by Molmil](/molmil-images/mine/7rfk) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Cheng, X, Zhou, J. | 登録日 | 2021-07-14 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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7RFM
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![BU of 7rfm by Molmil](/molmil-images/mine/7rfm) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777 | 分子名称: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | 著者 | Horton, J.R, Cheng, X, Zhou, J. | 登録日 | 2021-07-14 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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7RFL
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![BU of 7rfl by Molmil](/molmil-images/mine/7rfl) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946 | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | 著者 | Horton, J.R, Cheng, X, Zhou, J. | 登録日 | 2021-07-14 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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7RFN
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![BU of 7rfn by Molmil](/molmil-images/mine/7rfn) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158 | 分子名称: | 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ... | 著者 | Horton, J.R, Cheng, X, Zhou, J. | 登録日 | 2021-07-14 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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5V3M
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5V3J
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![BU of 5v3j by Molmil](/molmil-images/mine/5v3j) | mouseZFP568-ZnF1-10 in complex with DNA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (26-MER), MAGNESIUM ION, ... | 著者 | Patel, A, Cheng, X. | 登録日 | 2017-03-07 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.064 Å) | 主引用文献 | DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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5TZU
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![BU of 5tzu by Molmil](/molmil-images/mine/5tzu) | Crystal structure of human CD47 ECD bound to Fab of B6H12.2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Cardoso, R.M.F. | 登録日 | 2016-11-22 | 公開日 | 2017-03-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Anti-leukemic activity and tolerability of anti-human CD47 monoclonal antibodies. Blood Cancer J, 7, 2017
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4KJU
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![BU of 4kju by Molmil](/molmil-images/mine/4kju) | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | 分子名称: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2013-05-03 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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4KJV
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![BU of 4kjv by Molmil](/molmil-images/mine/4kjv) | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | 分子名称: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2013-05-03 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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2R7B
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![BU of 2r7b by Molmil](/molmil-images/mine/2r7b) | Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor | 分子名称: | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | 著者 | Olland, A.M. | 登録日 | 2007-09-07 | 公開日 | 2008-09-09 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors. J.Med.Chem., 50, 2007
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6I8C
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![BU of 6i8c by Molmil](/molmil-images/mine/6i8c) | Crystal structure of the murine beta-2-microglobulin. | 分子名称: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | 著者 | Achour, A, Sandalova, T, Ricagno, S, Sun, R. | 登録日 | 2018-11-20 | 公開日 | 2019-10-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity. Febs J., 287, 2020
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4Q2K
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![BU of 4q2k by Molmil](/molmil-images/mine/4q2k) | Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b | 分子名称: | (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A | 著者 | Chan, H.Y, Bruning, J.B, Abell, A.D. | 登録日 | 2014-04-09 | 公開日 | 2014-07-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Macrocyclic protease inhibitors with reduced peptide character. Angew.Chem.Int.Ed.Engl., 53, 2014
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7RD0
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7RCX
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7RCW
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![BU of 7rcw by Molmil](/molmil-images/mine/7rcw) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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7RCZ
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![BU of 7rcz by Molmil](/molmil-images/mine/7rcz) | Crystal structure of C. difficile SpoVD in complex with ampicillin | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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7RCY
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![BU of 7rcy by Molmil](/molmil-images/mine/7rcy) | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | 著者 | Sacco, M, Chen, Y. | 登録日 | 2021-07-08 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
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6ZOV
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![BU of 6zov by Molmil](/molmil-images/mine/6zov) | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | 著者 | Cummings, M.D. | 登録日 | 2020-07-07 | 公開日 | 2020-10-21 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits. J.Pharmacol.Exp.Ther., 375, 2020
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8TXG
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![BU of 8txg by Molmil](/molmil-images/mine/8txg) | Crystal structure of KRAS G12D in complex with GDP and compound 8 | 分子名称: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Chen, P, Irimia, A, Yang, Z. | 登録日 | 2023-08-23 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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