6FA2
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![BU of 6fa2 by Molmil](/molmil-images/mine/6fa2) | Antibody derived (Abd-5) small molecule binding to KRAS. | 分子名称: | 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2017-12-15 | 公開日 | 2018-09-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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6U1O
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![BU of 6u1o by Molmil](/molmil-images/mine/6u1o) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | 分子名称: | Protein IMPACT homolog | 著者 | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | 登録日 | 2019-08-16 | 公開日 | 2021-02-10 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 595, 2021
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6EV4
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![BU of 6ev4 by Molmil](/molmil-images/mine/6ev4) | Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | 著者 | Bailey, S.S, David, L, Payne, K.A.P. | 登録日 | 2017-11-01 | 公開日 | 2017-12-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
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4XBI
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![BU of 4xbi by Molmil](/molmil-images/mine/4xbi) | Structure Of A Malarial Protein Involved in Proteostasis | 分子名称: | ClpB protein, putative,Green fluorescent protein, SULFATE ION | 著者 | Egea, P.F, Ah Young, A.P, Cascio, D. | 登録日 | 2014-12-17 | 公開日 | 2015-07-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.013 Å) | 主引用文献 | Structural mapping of the ClpB ATPases of Plasmodium falciparum: Targeting protein folding and secretion for antimalarial drug design. Protein Sci., 24, 2015
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6U1L
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![BU of 6u1l by Molmil](/molmil-images/mine/6u1l) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | 分子名称: | Protein IMPACT homolog | 著者 | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | 登録日 | 2019-08-16 | 公開日 | 2021-02-10 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 595, 2021
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6EW6
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![BU of 6ew6 by Molmil](/molmil-images/mine/6ew6) | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | 分子名称: | B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-11-03 | 公開日 | 2018-10-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem. Biol., 13, 2018
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8SQG
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![BU of 8sqg by Molmil](/molmil-images/mine/8sqg) | OXA-48 bound to inhibitor CDD-2801 | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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6EY0
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![BU of 6ey0 by Molmil](/molmil-images/mine/6ey0) | N-terminal part (residues 30-212) of PorM with the llama nanobody nb01 | 分子名称: | T9SS component cytoplasmic membrane protein PorM, llama nanobody nb01 | 著者 | Leone, P, Roche, J, Cambillau, C, Roussel, A. | 登録日 | 2017-11-10 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space. Nat Commun, 9, 2018
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7AW6
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![BU of 7aw6 by Molmil](/molmil-images/mine/7aw6) | The extracellular region of CD33 with bound sialoside analogue P22 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, ... | 著者 | Bradshaw, W.J, Katis, V.L, Thompson, A.P, Arrowsmith, C.H, Edwards, A.M, von Delft, F, Bountra, C, Gileadi, O. | 登録日 | 2020-11-06 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The extracellular region of CD33 with bound sialoside analogue P22 To Be Published
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6EW9
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![BU of 6ew9 by Molmil](/molmil-images/mine/6ew9) | CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... | 著者 | Vetter, I.R, Porfetye, A.T, Stege, P. | 登録日 | 2017-11-03 | 公開日 | 2018-04-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes. ACS Chem. Biol., 13, 2018
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5LQV
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![BU of 5lqv by Molmil](/molmil-images/mine/5lqv) | Spatial structure of the lentil lipid transfer protein in complex with anionic lysolipid LPPG | 分子名称: | 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)], Non-specific lipid-transfer protein 2 | 著者 | Mineev, K.S, Shenkarev, Z.O, Arseniev, A.S, Melnikova, D.N, Finkina, E.I, Ovchinnikova, T.V. | 登録日 | 2016-08-17 | 公開日 | 2017-06-28 | 最終更新日 | 2019-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Ligand Binding Properties of the Lentil Lipid Transfer Protein: Molecular Insight into the Possible Mechanism of Lipid Uptake. Biochemistry, 56, 2017
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7JYU
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![BU of 7jyu by Molmil](/molmil-images/mine/7jyu) | Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus | 分子名称: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | 著者 | Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S. | 登録日 | 2020-09-01 | 公開日 | 2021-04-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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5LRK
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![BU of 5lrk by Molmil](/molmil-images/mine/5lrk) | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex | 分子名称: | Anabaenopeptin F, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-08-19 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Sci Rep, 6, 2016
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4XDH
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![BU of 4xdh by Molmil](/molmil-images/mine/4xdh) | Crystal Structure of Quinone Reductase II in complex with a 2-(4-methoxy-phenyl)-5-methoxy-indol-3-one molecule | 分子名称: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | 登録日 | 2014-12-19 | 公開日 | 2016-01-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives. Molecules, 22, 2017
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6ONW
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![BU of 6onw by Molmil](/molmil-images/mine/6onw) | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sel1 repeat protein | 著者 | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2019-04-22 | 公開日 | 2020-04-29 | 実験手法 | X-RAY DIFFRACTION (2.951 Å) | 主引用文献 | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes To Be Published
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8EP7
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![BU of 8ep7 by Molmil](/molmil-images/mine/8ep7) | Crystal Structure of the Ketol-acid Reductoisomerase from Bacillus anthracis in complex with NADP | 分子名称: | ACETIC ACID, Ketol-acid reductoisomerase (NADP(+)) 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Kim, Y, Maltseva, N, Osipiuk, J, Gu, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-05 | 公開日 | 2022-10-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Ketol-acid Reductoisomerase from Bacillus anthracis in the complex with NADP. To Be Published
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6EY2
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![BU of 6ey2 by Molmil](/molmil-images/mine/6ey2) | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | 分子名称: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | 登録日 | 2017-11-10 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs. FEBS J., 285, 2018
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5LY7
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![BU of 5ly7 by Molmil](/molmil-images/mine/5ly7) | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | 分子名称: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | 登録日 | 2016-09-25 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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6OMG
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![BU of 6omg by Molmil](/molmil-images/mine/6omg) | Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex | 分子名称: | (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dirk, M.Z, Bitra, A, Wang, J. | 登録日 | 2019-04-18 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex To Be Published
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5LSR
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![BU of 5lsr by Molmil](/molmil-images/mine/5lsr) | Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942 | 分子名称: | CcmP, THIOCYANATE ION | 著者 | Larsson, A.M, Hasse, D, Valegard, K, Andersson, I. | 登録日 | 2016-09-05 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structures of beta-carboxysome shell protein CcmP: ligand binding correlates with the closed or open central pore. J. Exp. Bot., 68, 2017
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8C3H
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![BU of 8c3h by Molmil](/molmil-images/mine/8c3h) | |
5LZ9
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![BU of 5lz9 by Molmil](/molmil-images/mine/5lz9) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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7KCC
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![BU of 7kcc by Molmil](/molmil-images/mine/7kcc) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-10-05 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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5EXM
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![BU of 5exm by Molmil](/molmil-images/mine/5exm) | |