8HXR
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![BU of 8hxr by Molmil](/molmil-images/mine/8hxr) | Nanobody2 in complex with human BCMA ECD | Descriptor: | Nanobody2, Tumor necrosis factor receptor superfamily member 17 | Authors: | Sun, Y, Zhang, B. | Deposit date: | 2023-01-05 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity. Signal Transduct Target Ther, 8, 2023
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2YOJ
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![BU of 2yoj by Molmil](/molmil-images/mine/2yoj) | HCV NS5B polymerase complexed with pyridonylindole compound | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | Deposit date: | 2012-10-24 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate Acs Med.Chem.Lett., 5, 2014
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7ESF
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![BU of 7esf by Molmil](/molmil-images/mine/7esf) | The Crystal Structure of human MTH1 from Biortus | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | Authors: | Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F. | Deposit date: | 2021-05-10 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of human MTH1 from Biortus To Be Published
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6DRG
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![BU of 6drg by Molmil](/molmil-images/mine/6drg) | NMR solution structure of wild type hFABP1 with GW7647 | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver | Authors: | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | Deposit date: | 2018-06-11 | Release date: | 2018-12-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6DO6
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![BU of 6do6 by Molmil](/molmil-images/mine/6do6) | NMR solution structure of wild type apo hFABP1 at 308 K | Descriptor: | Fatty acid-binding protein, liver | Authors: | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | Deposit date: | 2018-06-09 | Release date: | 2018-12-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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2A4G
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![BU of 2a4g by Molmil](/molmil-images/mine/2a4g) | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | Deposit date: | 2005-06-28 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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1IAY
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![BU of 1iay by Molmil](/molmil-images/mine/1iay) | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, 2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | Deposit date: | 2001-03-24 | Release date: | 2001-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms J.Biol.Chem., 276, 2001
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8GSQ
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![BU of 8gsq by Molmil](/molmil-images/mine/8gsq) | Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment. | Descriptor: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Aouti, S, Padmanabhan, B. | Deposit date: | 2022-09-06 | Release date: | 2023-06-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis. Acta Crystallogr D Struct Biol, 79, 2023
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5LY0
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![BU of 5ly0 by Molmil](/molmil-images/mine/5ly0) | Crystal structure of LOB domain of Ramosa2 from Wheat | Descriptor: | LOB family transfactor Ramosa2.1, ZINC ION | Authors: | Wei, X.-B, Zhang, B, Chen, W.-F, Fan, S.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-09-23 | Release date: | 2017-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.877 Å) | Cite: | Structural analysis reveals a "molecular calipers" mechanism for a LATERAL ORGAN BOUNDARIES DOMAIN transcription factor protein from wheat. J. Biol. Chem., 294, 2019
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6XI6
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![BU of 6xi6 by Molmil](/molmil-images/mine/6xi6) | Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks | Descriptor: | helical fusion design | Authors: | Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D. | Deposit date: | 2020-06-19 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design of multi-scale protein complexes by hierarchical building block fusion. Nat Commun, 12, 2021
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7YZK
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![BU of 7yzk by Molmil](/molmil-images/mine/7yzk) | Structure of Mycobacterium tuberculosis adenylyl cyclase Rv1625c / Cya | Descriptor: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, MANGANESE (II) ION, ... | Authors: | Mehta, V, Khanppnavar, B, Korkhov, V.M. | Deposit date: | 2022-02-20 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases. Elife, 11, 2022
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1IAX
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![BU of 1iax by Molmil](/molmil-images/mine/1iax) | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH PLP | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | Deposit date: | 2001-03-24 | Release date: | 2001-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms J.Biol.Chem., 276, 2001
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4H5S
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![BU of 4h5s by Molmil](/molmil-images/mine/4h5s) | Complex structure of Necl-2 and CRTAM | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-08-07 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2. Structure, 21, 2013
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7YZI
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![BU of 7yzi by Molmil](/molmil-images/mine/7yzi) | Structure of Mycobacterium tuberculosis adenylyl cyclase Rv1625c / Cya | Descriptor: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, MANGANESE (II) ION, ... | Authors: | Mehta, V, Khanppnavar, B, Korkhov, V.M. | Deposit date: | 2022-02-20 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.83 Å) | Cite: | Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases. Elife, 11, 2022
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8VZZ
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![BU of 8vzz by Molmil](/molmil-images/mine/8vzz) | |
8VZY
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![BU of 8vzy by Molmil](/molmil-images/mine/8vzy) | |
5NP0
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![BU of 5np0 by Molmil](/molmil-images/mine/5np0) | Closed dimer of human ATM (Ataxia telangiectasia mutated) | Descriptor: | Serine-protein kinase ATM | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | Deposit date: | 2017-04-13 | Release date: | 2017-05-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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1JWT
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![BU of 1jwt by Molmil](/molmil-images/mine/1jwt) | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | Descriptor: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | Authors: | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | Deposit date: | 2001-09-05 | Release date: | 2002-02-27 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues. Bioorg.Med.Chem.Lett., 11, 2001
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5NP1
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![BU of 5np1 by Molmil](/molmil-images/mine/5np1) | Open protomer of human ATM (Ataxia telangiectasia mutated) | Descriptor: | Serine-protein kinase ATM | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | Deposit date: | 2017-04-13 | Release date: | 2017-05-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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3J92
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![BU of 3j92 by Molmil](/molmil-images/mine/3j92) | Structure and assembly pathway of the ribosome quality control complex | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Shao, S, Brown, A, Santhanam, B, Hegde, R.S. | Deposit date: | 2014-12-02 | Release date: | 2015-01-21 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Assembly Pathway of the Ribosome Quality Control Complex. Mol.Cell, 57, 2015
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7LNA
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![BU of 7lna by Molmil](/molmil-images/mine/7lna) | Infectious mammalian prion fibril (263K scrapie) | Descriptor: | Major prion protein | Authors: | Kraus, A, Hoyt, F, Schwartz, C.L, Hansen, B, Hughson, A.G, Artikis, E, Race, B, Caughey, B. | Deposit date: | 2021-02-06 | Release date: | 2021-09-01 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | High-resolution structure and strain comparison of infectious mammalian prions. Mol.Cell, 81, 2021
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2QRZ
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![BU of 2qrz by Molmil](/molmil-images/mine/2qrz) | Cdc42 bound to GMP-PCP: Induced Fit by Effector is Required | Descriptor: | Cell division control protein 42 homolog precursor, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Phillips, M.J, Calero, G, Chan, B, Cerione, R.A. | Deposit date: | 2007-07-30 | Release date: | 2008-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Effector Proteins Exert an Important Influence on the Signaling-active State of the Small GTPase Cdc42. J.Biol.Chem., 283, 2008
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4GKY
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![BU of 4gky by Molmil](/molmil-images/mine/4gky) | Crystal structure of a carbohydrate-binding domain | Descriptor: | CALCIUM ION, GLYCEROL, Protein ERGIC-53, ... | Authors: | Page, R.C, Zheng, C, Nix, J.C, Misra, S, Zhang, B. | Deposit date: | 2012-08-13 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4201 Å) | Cite: | Structural Characterization of Carbohydrate Binding by LMAN1 Protein Provides New Insight into the Endoplasmic Reticulum Export of Factors V (FV) and VIII (FVIII). J.Biol.Chem., 288, 2013
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4KQZ
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![BU of 4kqz by Molmil](/molmil-images/mine/4kqz) | structure of the receptor binding domain (RBD) of MERS-CoV spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Bao, J, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-15 | Release date: | 2013-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.514 Å) | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26. Nature, 500, 2013
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3V64
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![BU of 3v64 by Molmil](/molmil-images/mine/3v64) | Crystal Structure of agrin and LRP4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor-related protein 4, ... | Authors: | Zong, Y, Zhang, B, Gu, S, Lee, K, Zhou, J, Yao, G, Figueiedo, D, Perry, K, Mei, L, Jin, R. | Deposit date: | 2011-12-18 | Release date: | 2012-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of agrin-LRP4-MuSK signaling. Genes Dev., 26, 2012
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