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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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8VZY
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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