5ZO2
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![BU of 5zo2 by Molmil](/molmil-images/mine/5zo2) | Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 3, Cell adhesion molecule 4 | Authors: | Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X. | Deposit date: | 2018-04-12 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZON
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![BU of 5zon by Molmil](/molmil-images/mine/5zon) | Histidinol phosphate phosphatase from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Histidinol-phosphatase, PHOSPHATE ION, ... | Authors: | Jha, B, Kumar, D, Biswal, B.K. | Deposit date: | 2018-04-13 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structural characterization of a histidinol phosphate phosphatase from Mycobacterium tuberculosis J. Biol. Chem., 293, 2018
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3DHA
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![BU of 3dha by Molmil](/molmil-images/mine/3dha) | An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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5ZNI
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2W0S
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![BU of 2w0s by Molmil](/molmil-images/mine/2w0s) | Crystal structure of vaccinia virus thymidylate kinase bound to brivudin-5'-monophosphate | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | Deposit date: | 2008-10-08 | Release date: | 2008-10-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.918 Å) | Cite: | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy Proc.Natl.Acad.Sci.USA, 105, 2008
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5ZQN
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![BU of 5zqn by Molmil](/molmil-images/mine/5zqn) | Crystal structure of Mycobacterium tuberculosis HisB in complex with a ligand | Descriptor: | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | Authors: | Kumar, D, Pal, R.K, Biswal, B.K. | Deposit date: | 2018-04-19 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase. Proteins, 2021
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5ZYL
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![BU of 5zyl by Molmil](/molmil-images/mine/5zyl) | Crystal structure of CERT START domain in complex with compound E25A | Descriptor: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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3NFA
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![BU of 3nfa by Molmil](/molmil-images/mine/3nfa) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-10 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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1TL9
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![BU of 1tl9 by Molmil](/molmil-images/mine/1tl9) | High resolution crystal structure of calpain I protease core in complex with leupeptin | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
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6A94
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![BU of 6a94 by Molmil](/molmil-images/mine/6a94) | Crystal structure of 5-HT2AR in complex with zotepine | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | Deposit date: | 2018-07-11 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine. Nat.Struct.Mol.Biol., 26, 2019
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3NF6
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![BU of 3nf6 by Molmil](/molmil-images/mine/3nf6) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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1UWH
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![BU of 1uwh by Molmil](/molmil-images/mine/1uwh) | The complex of wild type B-RAF and BAY439006. | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, CHLORIDE ION | Authors: | Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project | Deposit date: | 2004-02-05 | Release date: | 2004-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.), 116, 2004
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1UT5
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1UT8
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1UWJ
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![BU of 1uwj by Molmil](/molmil-images/mine/1uwj) | The complex of mutant V599E B-RAF and BAY439006. | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE | Authors: | Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project | Deposit date: | 2004-02-05 | Release date: | 2004-03-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.), 116, 2004
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4CRG
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![BU of 4crg by Molmil](/molmil-images/mine/4crg) | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | Descriptor: | 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ... | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | Deposit date: | 2014-02-26 | Release date: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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5C1E
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![BU of 5c1e by Molmil](/molmil-images/mine/5c1e) | Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D. | Deposit date: | 2015-06-13 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control. J.Biol.Chem., 291, 2016
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2EXV
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![BU of 2exv by Molmil](/molmil-images/mine/2exv) | Crystal structure of the F7A mutant of the cytochrome c551 from Pseudomonas aeruginosa | Descriptor: | ACETIC ACID, Cytochrome c-551, HEME C | Authors: | Bonivento, D, Di Matteo, A, Borgia, A, Travaglini-Allocatelli, C, Brunori, M. | Deposit date: | 2005-11-09 | Release date: | 2006-02-07 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Unveiling a Hidden Folding Intermediate in c-Type Cytochromes by Protein Engineering J.Biol.Chem., 281, 2006
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2FH7
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![BU of 2fh7 by Molmil](/molmil-images/mine/2fh7) | Crystal structure of the phosphatase domains of human PTP SIGMA | Descriptor: | Receptor-type tyrosine-protein phosphatase S | Authors: | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-12-23 | Release date: | 2006-01-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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6O2T
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![BU of 6o2t by Molmil](/molmil-images/mine/6o2t) | Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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3Q0X
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![BU of 3q0x by Molmil](/molmil-images/mine/3q0x) | N-terminal coiled-coil dimer domain of C. reinhardtii SAS-6 homolog Bld12p | Descriptor: | Centriole protein | Authors: | Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. | Deposit date: | 2010-12-16 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis of the 9-fold symmetry of centrioles. Cell(Cambridge,Mass.), 144, 2011
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2XTL
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![BU of 2xtl by Molmil](/molmil-images/mine/2xtl) | Structure of the major pilus backbone protein from Streptococcus Agalactiae | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, POTASSIUM ION | Authors: | Rinauda, D, Gourlay, L.J, Soriano, M, Grandi, G, Bolognesi, M. | Deposit date: | 2010-10-11 | Release date: | 2011-07-06 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Approach to Rationally Design a Chimeric Protein for an Effective Vaccine Against Group B Streptococcus Infections. Proc.Natl.Acad.Sci.USA, 108, 2011
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6O2S
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![BU of 6o2s by Molmil](/molmil-images/mine/6o2s) | Deacetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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3L1F
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![BU of 3l1f by Molmil](/molmil-images/mine/3l1f) | Bovine AlphaA crystallin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2009-12-11 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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2VFJ
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![BU of 2vfj by Molmil](/molmil-images/mine/2vfj) | |