1E9W
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![BU of 1e9w by Molmil](/molmil-images/mine/1e9w) | Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur | Descriptor: | THIOSTREPTON | Authors: | Bond, C.S, Shaw, M.P, Alphey, M.S, Hunter, W.N. | Deposit date: | 2000-10-27 | Release date: | 2001-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure of the Macrocycle Thiostrepton Solved Using the Anomalous Dispersive Contribution from Sulfur Acta Crystallogr.,Sect.D, 57, 2001
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2CC0
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![BU of 2cc0 by Molmil](/molmil-images/mine/2cc0) | Family 4 carbohydrate esterase from Streptomyces lividans in complex with acetate | Descriptor: | ACETATE ION, ACETYL-XYLAN ESTERASE, ZINC ION | Authors: | Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Vincent, F, Brzozowski, A.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Puchart, V, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | Deposit date: | 2006-01-10 | Release date: | 2006-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases J.Biol.Chem., 281, 2006
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2ISA
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![BU of 2isa by Molmil](/molmil-images/mine/2isa) | Crystal Structure of Vibrio salmonicida catalase | Descriptor: | CHLORIDE ION, Catalase, GLYCEROL, ... | Authors: | Riise, E.K, Lorentzen, M.S, Helland, R, Smalas, A.O, Leiros, H.K.S, Willassen, N.P. | Deposit date: | 2006-10-17 | Release date: | 2007-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The first structure of a cold-active catalase from Vibrio salmonicida at 1.96A reveals structural aspects of cold adaptation ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1CZ0
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![BU of 1cz0 by Molmil](/molmil-images/mine/1cz0) | INTRON ENCODED HOMING ENDONUCLEASE I-PPOI/DNA COMPLEX LACKING CATALYTIC METAL ION | Descriptor: | DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, SODIUM ION, ... | Authors: | Galburt, E.A, Chevalier, B, Jurica, M.S, Flick, K.E, Stoddard, B.L. | Deposit date: | 1999-08-31 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A novel endonuclease mechanism directly visualized for I-PpoI. Nat.Struct.Biol., 6, 1999
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2I5C
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![BU of 2i5c by Molmil](/molmil-images/mine/2i5c) | Crystal structure of the C-terminal PH domain of pleckstrin in complex with D-myo-Ins(1,2,3,4,5)P5 | Descriptor: | (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)], Pleckstrin | Authors: | Jackson, S.G, Haslam, R.J, Junop, M.S. | Deposit date: | 2006-08-24 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural analysis of the carboxy terminal PH domain of pleckstrin bound to D-myo-inositol 1,2,3,5,6-pentakisphosphate. Bmc Struct.Biol., 7, 2007
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2C71
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![BU of 2c71 by Molmil](/molmil-images/mine/2c71) | The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a magnesium ion. | Descriptor: | GLYCOSIDE HYDROLASE, FAMILY 11:CLOSTRIDIUM CELLULOSOME ENZYME, DOCKERIN TYPE I:POLYSACCHARIDE, ... | Authors: | Taylor, E.J, Turkenburg, P.J, Vincent, F, Brzozowski, A.M, Gloster, T.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | Deposit date: | 2005-11-17 | Release date: | 2006-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell-Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases. J.Biol.Chem., 281, 2006
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1EGL
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![BU of 1egl by Molmil](/molmil-images/mine/1egl) | |
2FFT
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![BU of 2fft by Molmil](/molmil-images/mine/2fft) | NMR structure of Spinach Thylakoid Soluble Phosphoprotein of 9 kDa in SDS Micelles | Descriptor: | thylakoid soluble phosphoprotein | Authors: | Song, J, Carlberg, I, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-12-20 | Release date: | 2006-01-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Micelle-induced folding of spinach thylakoid soluble phosphoprotein of 9 kDa and its functional implications. Biochemistry, 45, 2006
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2ILL
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![BU of 2ill by Molmil](/molmil-images/mine/2ill) | Anomalous substructure of Titin-A168169 | Descriptor: | CHLORIDE ION, Titin | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-10-03 | Release date: | 2007-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1F13
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![BU of 1f13 by Molmil](/molmil-images/mine/1f13) | |
6AS3
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![BU of 6as3 by Molmil](/molmil-images/mine/6as3) | Structure of a phage anti-CRISPR protein | Descriptor: | NHis AcrE1 protein | Authors: | Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein. MBio, 8, 2017
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5BPK
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![BU of 5bpk by Molmil](/molmil-images/mine/5bpk) | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases | Descriptor: | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 1,2-ETHANEDIOL, Gamma-glutamyltranspeptidase (Ggt) | Authors: | Bolz, C, Bach, N.C, Meyer, H, Mueller, G, Dawidowski, M, Popowicz, G, Sieber, S.A, Skerra, A, Gerhard, M. | Deposit date: | 2015-05-28 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases To Be Published
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2POE
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![BU of 2poe by Molmil](/molmil-images/mine/2poe) | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 | Descriptor: | Cyclophilin-like protein, putative, FORMIC ACID | Authors: | Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-26 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660. To be Published
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7OYP
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![BU of 7oyp by Molmil](/molmil-images/mine/7oyp) | Carbonic anhydrase II in complex with Hit3-t1 (MH172) | Descriptor: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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7JMR
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![BU of 7jmr by Molmil](/molmil-images/mine/7jmr) | Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis | Descriptor: | CALCIUM ION, POTASSIUM ION, Pea pathogenicity protein 2 | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-08-02 | Release date: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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7OYN
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![BU of 7oyn by Molmil](/molmil-images/mine/7oyn) | Carbonic anhydrase II in complex with Hit3 (MH57) | Descriptor: | Carbonic anhydrase 2, Hit3 (MH57), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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5BRW
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![BU of 5brw by Molmil](/molmil-images/mine/5brw) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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7OYR
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![BU of 7oyr by Molmil](/molmil-images/mine/7oyr) | Carbonic anhydrase II in complex with Hit3-t4 (MH181) | Descriptor: | Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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7OYQ
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![BU of 7oyq by Molmil](/molmil-images/mine/7oyq) | Carbonic anhydrase II in complex with Hit3-t2 (MH174) | Descriptor: | Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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8CD4
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![BU of 8cd4 by Molmil](/molmil-images/mine/8cd4) | structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL | Descriptor: | Woronin body major protein | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8CON
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![BU of 8con by Molmil](/molmil-images/mine/8con) | Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ... | Authors: | Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M. | Deposit date: | 2023-02-28 | Release date: | 2024-02-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity. Plant J., 118, 2024
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7OYM
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![BU of 7oym by Molmil](/molmil-images/mine/7oym) | Carbonic anhydrase II in complex with Hit2 (MH65) | Descriptor: | Carbonic anhydrase 2, Hit2 (MH65), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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8CFE
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![BU of 8cfe by Molmil](/molmil-images/mine/8cfe) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment B03 | Descriptor: | 2-[(1R)-1-aminopropyl]phenol, ADENINE, Adenosylhomocysteinase, ... | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry B03 To be published
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6U6O
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![BU of 6u6o by Molmil](/molmil-images/mine/6u6o) | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846 | Descriptor: | DH846 Fab heavy chain, DH846 Fab light chain | Authors: | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | Deposit date: | 2019-08-30 | Release date: | 2021-03-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates. Plos Pathog., 17, 2021
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7OYO
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![BU of 7oyo by Molmil](/molmil-images/mine/7oyo) | Carbonic anhydrase II in complex with Hit4 (MH70) | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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