1MDW
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![BU of 1mdw by Molmil](/molmil-images/mine/1mdw) | Crystal Structure of Calcium-Bound Protease Core of Calpain II Reveals the Basis for Intrinsic Inactivation | Descriptor: | CALCIUM ION, Calpain II, catalytic subunit | Authors: | Moldoveanu, T, Hosfield, C.M, Lim, D, Jia, Z, Davies, P.L. | Deposit date: | 2002-08-07 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Calpain silencing by a reversible intrinsic mechanism. Nat.Struct.Biol., 10, 2003
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1MI0
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![BU of 1mi0 by Molmil](/molmil-images/mine/1mi0) | Crystal Structure of the redesigned protein G variant NuG2 | Descriptor: | immunoglobulin-binding protein G | Authors: | Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D. | Deposit date: | 2002-08-21 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2 Biochemistry, 11, 2002
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1MZN
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![BU of 1mzn by Molmil](/molmil-images/mine/1mzn) | CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE | Descriptor: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor | Authors: | Egea, P.F, Mitschler, A, Moras, D. | Deposit date: | 2002-10-09 | Release date: | 2002-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Recognition of Agonist Ligands by RXRs MOL.ENDOCRINOL., 16, 2002
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4V84
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![BU of 4v84 by Molmil](/molmil-images/mine/4v84) | Crystal structure of a complex containing domain 3 of CrPV IGR IRES RNA bound to the 70S ribosome. | Descriptor: | 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Zhu, J, Korostelev, A, Costantino, D, Noller, H.F, Kieft, J.S. | Deposit date: | 2010-12-13 | Release date: | 2014-07-09 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structures of complexes containing domains from two viral internal ribosome entry site (IRES) RNAs bound to the 70S ribosome. Proc.Natl.Acad.Sci.USA, 108, 2011
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8RKH
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![BU of 8rkh by Molmil](/molmil-images/mine/8rkh) | Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ... | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | Deposit date: | 2023-12-25 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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8RKI
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![BU of 8rki by Molmil](/molmil-images/mine/8rki) | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment | Descriptor: | Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ... | Authors: | Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L. | Deposit date: | 2023-12-25 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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8RKE
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![BU of 8rke by Molmil](/molmil-images/mine/8rke) | Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | Deposit date: | 2023-12-25 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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5VL4
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![BU of 5vl4 by Molmil](/molmil-images/mine/5vl4) | Accidental minimum contact crystal lattice formed by a redesigned protein oligomer | Descriptor: | T33-53H-B | Authors: | Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T. | Deposit date: | 2017-04-24 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering. Protein Sci., 29, 2020
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7LMX
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![BU of 7lmx by Molmil](/molmil-images/mine/7lmx) | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
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![BU of 7lmv by Molmil](/molmil-images/mine/7lmv) | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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6DHP
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![BU of 6dhp by Molmil](/molmil-images/mine/6dhp) | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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3UMK
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![BU of 3umk by Molmil](/molmil-images/mine/3umk) | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with copper | Descriptor: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION, ... | Authors: | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | Deposit date: | 2011-11-13 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. J.Mol.Biol., 416, 2012
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6DHH
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![BU of 6dhh by Molmil](/molmil-images/mine/6dhh) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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3UID
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![BU of 3uid by Molmil](/molmil-images/mine/3uid) | Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis | Descriptor: | Putative uncharacterized protein | Authors: | Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-11-04 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response. Acta Crystallogr F Struct Biol Commun, 72, 2016
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3UMH
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![BU of 3umh by Molmil](/molmil-images/mine/3umh) | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with cadmium | Descriptor: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION | Authors: | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | Deposit date: | 2011-11-13 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. J.Mol.Biol., 416, 2012
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5KO0
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![BU of 5ko0 by Molmil](/molmil-images/mine/5ko0) | Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED | Descriptor: | THIOCYANATE ION, hIAPP(15-25)WT | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | Deposit date: | 2016-06-28 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity. Elife, 6, 2017
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1VDY
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![BU of 1vdy by Molmil](/molmil-images/mine/1vdy) | NMR Structure of the hypothetical ENTH-VHS domain At3g16270 from Arabidopsis thaliana | Descriptor: | hypothetical protein (RAFL09-17-B18) | Authors: | Lopez-Mendez, B, Pantoja-Uceda, D, Tomizawa, T, Koshiba, S, Kigawa, T, Shirouzu, M, Terada, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Seki, M, Shinozaki, K, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-25 | Release date: | 2005-05-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the hypothetical ENTH-VHS domain AT3G16270 from arabidopsis thaliana To be Published
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8DYA
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![BU of 8dya by Molmil](/molmil-images/mine/8dya) | |
1W9A
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![BU of 1w9a by Molmil](/molmil-images/mine/1w9a) | Crystal structure of Rv1155 from Mycobacterium tuberculosis | Descriptor: | PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE | Authors: | Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y. | Deposit date: | 2004-10-07 | Release date: | 2005-01-06 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis FEBS Lett., 579, 2005
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6Z3Z
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![BU of 6z3z by Molmil](/molmil-images/mine/6z3z) | |
7R6W
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![BU of 7r6w by Molmil](/molmil-images/mine/7r6w) | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | Deposit date: | 2021-06-23 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
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7Y38
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![BU of 7y38 by Molmil](/molmil-images/mine/7y38) | |
4U01
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![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
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8ERR
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![BU of 8err by Molmil](/molmil-images/mine/8err) | |