5LOD
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7E6R
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![BU of 7e6r by Molmil](/molmil-images/mine/7e6r) | Crystal structure of HCoV-NL63 3C-like protease,pH5.6 | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-02-23 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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7E6L
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![BU of 7e6l by Molmil](/molmil-images/mine/7e6l) | Crystal structure of HCoV-NL63 3C-like protease,pH5.0 | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78037143 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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3AE4
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![BU of 3ae4 by Molmil](/molmil-images/mine/3ae4) | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide | Descriptor: | 2-iodo-N-methylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide To be Published
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7E6M
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![BU of 7e6m by Molmil](/molmil-images/mine/7e6m) | Crystal structure of Human coronavirus NL63 3C-like protease | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83445024 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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6D56
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![BU of 6d56 by Molmil](/molmil-images/mine/6d56) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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5LTY
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![BU of 5lty by Molmil](/molmil-images/mine/5lty) | Homeobox transcription factor CDX2 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-07 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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7E6N
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![BU of 7e6n by Molmil](/molmil-images/mine/7e6n) | Crystal structure of HCoV-NL63 3C-like protease,pH5.2 | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8413 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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3GP0
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![BU of 3gp0 by Molmil](/molmil-images/mine/3gp0) | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ... | Authors: | Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-20 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib To be Published
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6D5J
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![BU of 6d5j by Molmil](/molmil-images/mine/6d5j) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6CXA
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5M17
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![BU of 5m17 by Molmil](/molmil-images/mine/5m17) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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1R4Y
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![BU of 1r4y by Molmil](/molmil-images/mine/1r4y) | SOLUTION STRUCTURE OF THE DELETION MUTANT DELTA(7-22) OF THE CYTOTOXIC RIBONUCLEASE ALPHA-SARCIN | Descriptor: | Ribonuclease alpha-sarcin | Authors: | Garcia-Mayoral, M.F, Garcia-Ortega, L, Lillo, M.P, Santoro, J, Martinez Del Pozo, A, Gavilanes, J.G, Rico, M, Bruix, M. | Deposit date: | 2003-10-09 | Release date: | 2004-04-06 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | NMR structure of the noncytotoxic {alpha}-sarcin mutant {Delta}(7-22): The importance of the native conformation of peripheral loops for activity. Protein Sci., 13, 2004
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3AM8
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5DH8
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![BU of 5dh8 by Molmil](/molmil-images/mine/5dh8) | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction- G12A mutant in Zn2+ | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', RNA (48-MER), ZINC ION | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-29 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.297 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
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1RGG
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![BU of 1rgg by Molmil](/molmil-images/mine/1rgg) | HYDROLASE, GUANYLORIBONUCLEASE | Descriptor: | RIBONUCLEASE, SULFATE ION | Authors: | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | Deposit date: | 1995-06-05 | Release date: | 1996-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ribonuclease from Streptomyces aureofaciens at atomic resolution. Acta Crystallogr.,Sect.D, 52, 1996
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5LSK
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![BU of 5lsk by Molmil](/molmil-images/mine/5lsk) | CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX | Descriptor: | Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ... | Authors: | Vetter, I.R, Petrovic, A, Keller, J, Liu, Y. | Deposit date: | 2016-09-02 | Release date: | 2016-11-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (3.502 Å) | Cite: | Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores. Cell, 167, 2016
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5LTC
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4LKK
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![BU of 4lkk by Molmil](/molmil-images/mine/4lkk) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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5LWU
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![BU of 5lwu by Molmil](/molmil-images/mine/5lwu) | Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LUX
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![BU of 5lux by Molmil](/molmil-images/mine/5lux) | Homeobox transcription factor CDX1 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-12 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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4LKH
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![BU of 4lkh by Molmil](/molmil-images/mine/4lkh) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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5LWT
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![BU of 5lwt by Molmil](/molmil-images/mine/5lwt) | Endothiapepsin in complex with a methoxylated derivative of fragment 177 | Descriptor: | 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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3AVH
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![BU of 3avh by Molmil](/molmil-images/mine/3avh) | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | Deposit date: | 2011-03-05 | Release date: | 2012-01-18 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site. Chembiochem, 12, 2011
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5LS3
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![BU of 5ls3 by Molmil](/molmil-images/mine/5ls3) | |