3UCR
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![BU of 3ucr by Molmil](/molmil-images/mine/3ucr) | Crystal structure of the immunoreceptor TIGIT IgV domain | Descriptor: | CHLORIDE ION, T cell immunoreceptor with Ig and ITIM domains | Authors: | Yin, J.P, Stengel, K.F, Rouge, L, Bazan, J.F, Wiesmann, C. | Deposit date: | 2011-10-27 | Release date: | 2012-03-14 | Last modified: | 2012-04-25 | Method: | X-RAY DIFFRACTION (2.627 Å) | Cite: | Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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1WIP
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5JZG
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![BU of 5jzg by Molmil](/molmil-images/mine/5jzg) | CryoEM structure of the native empty particle of a human rhinovirus C | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | Authors: | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | Deposit date: | 2016-05-16 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma. Proc.Natl.Acad.Sci.USA, 113, 2016
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3UDQ
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![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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5K09
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![BU of 5k09 by Molmil](/molmil-images/mine/5k09) | Crystal Structure of COMT in complex with a thiazole ligand | Descriptor: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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3UE2
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1WZY
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3UDM
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![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDT
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![BU of 3udt by Molmil](/molmil-images/mine/3udt) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP5. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION, ... | Authors: | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity. Protein Sci., 21, 2012
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3UGJ
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![BU of 3ugj by Molmil](/molmil-images/mine/3ugj) | Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | Authors: | Morar, M, Tanwar, A.S, Panjikar, S, Anand, R. | Deposit date: | 2011-11-02 | Release date: | 2012-06-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
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3UR9
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![BU of 3ur9 by Molmil](/molmil-images/mine/3ur9) | 1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like protease, CHLORIDE ION | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2011-11-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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3UI6
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![BU of 3ui6 by Molmil](/molmil-images/mine/3ui6) | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT To be Published
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3UIN
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![BU of 3uin by Molmil](/molmil-images/mine/3uin) | Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
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1X27
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![BU of 1x27 by Molmil](/molmil-images/mine/1x27) | Crystal Structure of Lck SH2-SH3 with SH2 binding site of p130Cas | Descriptor: | CRK-associated substrate, Proto-oncogene tyrosine-protein kinase LCK, SODIUM ION | Authors: | Nasertorabi, F, Tars, K, Becherer, K, Kodandapani, R, Liljas, L, Vuori, K, Ely, K.R. | Deposit date: | 2005-04-20 | Release date: | 2006-02-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for regulation of Src by the docking protein p130Cas J.MOL.RECOG., 19, 2006
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3UJ4
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![BU of 3uj4 by Molmil](/molmil-images/mine/3uj4) | Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION | Authors: | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | Deposit date: | 2011-11-07 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional conservation of key domains in InsP3 and ryanodine receptors. Nature, 483, 2012
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3UUF
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![BU of 3uuf by Molmil](/molmil-images/mine/3uuf) | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ... | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | Deposit date: | 2011-11-28 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity. J.Struct.Biol., 178, 2012
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3UKP
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3UWT
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1X3Z
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![BU of 1x3z by Molmil](/molmil-images/mine/1x3z) | Structure of a peptide:N-glycanase-Rad23 complex | Descriptor: | UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ... | Authors: | Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins. Proc.Natl.Acad.Sci.Usa, 102, 2005
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3UX3
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![BU of 3ux3 by Molmil](/molmil-images/mine/3ux3) | Crystal Structure of Domain-Swapped Fam96a minor dimer | Descriptor: | ACETATE ION, MIP18 family protein FAM96A, ZINC ION | Authors: | Chen, K.-E, Kobe, B, Martin, J.L. | Deposit date: | 2011-12-03 | Release date: | 2012-05-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The mammalian DUF59 protein Fam96a forms two distinct types of domain-swapped dimer. Acta Crystallogr.,Sect.D, 68, 2012
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3UMW
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![BU of 3umw by Molmil](/molmil-images/mine/3umw) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J.Med.Chem., 55, 2012
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3UDS
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![BU of 3uds by Molmil](/molmil-images/mine/3uds) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION | Authors: | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity. Protein Sci., 21, 2012
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5X3E
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![BU of 5x3e by Molmil](/molmil-images/mine/5x3e) | kinesin 6 | Descriptor: | IODIDE ION, Kinesin-like protein, SULFATE ION | Authors: | Chen, Z, Guan, R, Zhang, L. | Deposit date: | 2017-02-04 | Release date: | 2017-04-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin Nat Commun, 8, 2017
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3UPU
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![BU of 3upu by Molmil](/molmil-images/mine/3upu) | Crystal structure of the T4 Phage SF1B Helicase Dda | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3', ATP-dependent DNA helicase dda | Authors: | He, X, Yun, M.K, Pemble IV, C.W, Kreuzer, K.N, Raney, K.D, White, S.W. | Deposit date: | 2011-11-18 | Release date: | 2012-06-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation. Structure, 20, 2012
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