2O4W
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![BU of 2o4w by Molmil](/molmil-images/mine/2o4w) | T4 lysozyme circular permutant | Descriptor: | CHLORIDE ION, Lysozyme | Authors: | Llinas, M, Crowder, S.M, Echols, N, Alber, T, Marqusee, S. | Deposit date: | 2006-12-05 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring subdomain cooperativity in T4 lysozyme I: Structural and energetic studies of a circular permutant and protein fragment. Protein Sci., 16, 2007
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4TNC
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![BU of 4tnc by Molmil](/molmil-images/mine/4tnc) | |
1IRB
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![BU of 1irb by Molmil](/molmil-images/mine/1irb) | CARBOXYLIC ESTER HYDROLASE | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Sundaralingam, M. | Deposit date: | 1997-08-13 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface. Biochemistry, 35, 1996
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1NCZ
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![BU of 1ncz by Molmil](/molmil-images/mine/1ncz) | TROPONIN C | Descriptor: | SULFATE ION, TERBIUM(III) ION, TROPONIN C | Authors: | Sundaralingam, M, Rao, S.T. | Deposit date: | 1996-06-02 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C. Acta Crystallogr.,Sect.D, 52, 1996
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1NCY
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![BU of 1ncy by Molmil](/molmil-images/mine/1ncy) | TROPONIN-C, COMPLEX WITH MANGANESE | Descriptor: | MANGANESE (II) ION, SULFATE ION, TROPONIN C | Authors: | Sundaralingam, M, Rao, S.T. | Deposit date: | 1996-06-02 | Release date: | 1997-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C. Acta Crystallogr.,Sect.D, 52, 1996
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1NCX
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![BU of 1ncx by Molmil](/molmil-images/mine/1ncx) | TROPONIN C | Descriptor: | CADMIUM ION, SULFATE ION, TROPONIN C | Authors: | Sundaralingam, M, Rao, S.T. | Deposit date: | 1996-06-02 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C. Acta Crystallogr.,Sect.D, 52, 1996
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1MKT
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![BU of 1mkt by Molmil](/molmil-images/mine/1mkt) | |
3QYW
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![BU of 3qyw by Molmil](/molmil-images/mine/3qyw) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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3QYZ
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![BU of 3qyz by Molmil](/molmil-images/mine/3qyz) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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1PDC
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![BU of 1pdc by Molmil](/molmil-images/mine/1pdc) | |
1MKS
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4J5B
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![BU of 4j5b by Molmil](/molmil-images/mine/4j5b) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J59
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![BU of 4j59 by Molmil](/molmil-images/mine/4j59) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5A
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![BU of 4j5a by Molmil](/molmil-images/mine/4j5a) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication. to be published
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4J5C
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![BU of 4j5c by Molmil](/molmil-images/mine/4j5c) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5E
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![BU of 4j5e by Molmil](/molmil-images/mine/4j5e) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5D
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![BU of 4j5d by Molmil](/molmil-images/mine/4j5d) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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1OSA
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![BU of 1osa by Molmil](/molmil-images/mine/1osa) | |
2BPP
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![BU of 2bpp by Molmil](/molmil-images/mine/2bpp) | |
1PK2
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![BU of 1pk2 by Molmil](/molmil-images/mine/1pk2) | |
4AQL
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![BU of 4aql by Molmil](/molmil-images/mine/4aql) | HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION | Authors: | Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P. | Deposit date: | 2012-04-18 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism. Plos One, 7, 2012
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1BPQ
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1CLM
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![BU of 1clm by Molmil](/molmil-images/mine/1clm) | |
4APA
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4APB
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![BU of 4apb by Molmil](/molmil-images/mine/4apb) | Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318C in complex with fumarate | Descriptor: | CALCIUM ION, FUMARATE HYDRATASE CLASS II, FUMARIC ACID | Authors: | Bellinzoni, M, Haouz, A, Mechaly, A.E, Alzari, P.M. | Deposit date: | 2012-03-31 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis. FEBS Lett., 586, 2012
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