1RXG
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![BU of 1rxg by Molmil](/molmil-images/mine/1rxg) | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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1RXX
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![BU of 1rxx by Molmil](/molmil-images/mine/1rxx) | Structure of arginine deiminase | Descriptor: | Arginine deiminase | Authors: | Galkin, A, Kulakova, L, Sarikaya, E, Lim, K, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-12-18 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insight into arginine degradation by arginine deiminase, an antibacterial and parasite drug target. J.Biol.Chem., 279, 2004
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5Y1W
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![BU of 5y1w by Molmil](/molmil-images/mine/5y1w) | |
4Y3P
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![BU of 4y3p by Molmil](/molmil-images/mine/4y3p) | Endothiapepsin in complex with fragment 17 | Descriptor: | 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3M
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4Y41
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![BU of 4y41 by Molmil](/molmil-images/mine/4y41) | Endothiapepsin in complex with fragment 112 | Descriptor: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5Y5Z
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![BU of 5y5z by Molmil](/molmil-images/mine/5y5z) | V/A-type ATPase/synthase from Thermus thermophilus, rotational state 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | Authors: | Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | Deposit date: | 2017-08-10 | Release date: | 2018-01-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus Nat Commun, 9, 2018
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4Y4T
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![BU of 4y4t by Molmil](/molmil-images/mine/4y4t) | Endothiapepsin in complex with fragment 114 | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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2CM1
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![BU of 2cm1 by Molmil](/molmil-images/mine/2cm1) | Crystal structure of the catalytic domain of serine threonine protein phosphatase PstP in complex with 2 Manganese ions. | Descriptor: | GLYCEROL, MANGANESE (II) ION, SERINE THREONINE PROTEIN PHOSPHATASE PSTP | Authors: | Wehenkel, A, Villarino, A, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2006-05-03 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Binding Studies of the Three-Metal Center in Two Mycobacterial Ppm Ser/Thr Protein Phosphatases. J.Mol.Biol., 374, 2007
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1U63
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![BU of 1u63 by Molmil](/molmil-images/mine/1u63) | THE STRUCTURE OF A RIBOSOMAL PROTEIN L1-mRNA COMPLEX | Descriptor: | 49 NT FRAGMENT OF MRNA FOR L1, 50S ribosomal protein L1P | Authors: | Nevskaya, N, Tishchenko, S, Gabdoulkhakov, A, Nikonova, E, Nikonov, O, Nikulin, A, Garber, M, Nikonov, S, Piendl, W. | Deposit date: | 2004-07-29 | Release date: | 2005-04-12 | Last modified: | 2016-11-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Ribosomal protein L1 recognizes the same specific structural motif in its target sites on the autoregulatory mRNA and 23S rRNA. Nucleic Acids Res., 33, 2005
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4Y54
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![BU of 4y54 by Molmil](/molmil-images/mine/4y54) | Endothiapepsin in complex with fragment 56 | Descriptor: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3L
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![BU of 4y3l by Molmil](/molmil-images/mine/4y3l) | Endothiapepsin in complex with fragment 205 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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4Y5E
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![BU of 4y5e by Molmil](/molmil-images/mine/4y5e) | Endothiapepsin in complex with fragment 268 | Descriptor: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.116 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
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5YLT
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![BU of 5ylt by Molmil](/molmil-images/mine/5ylt) | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | Deposit date: | 2017-10-19 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine. ChemMedChem, 13, 2018
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4Y5N
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![BU of 4y5n by Molmil](/molmil-images/mine/4y5n) | Endothiapepsin in complex with fragment 337 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4B
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![BU of 4y4b by Molmil](/molmil-images/mine/4y4b) | Endothiapepsin in complex with fragment 323 | Descriptor: | 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.108 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5YAB
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![BU of 5yab by Molmil](/molmil-images/mine/5yab) | Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Descriptor: | ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2017-08-31 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification PLoS ONE, 13, 2018
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4Y3E
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![BU of 4y3e by Molmil](/molmil-images/mine/4y3e) | Endothiapepsin in complex with fragment 5 | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5YO2
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![BU of 5yo2 by Molmil](/molmil-images/mine/5yo2) | The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with Acetyl CoA and L-Arginine | Descriptor: | ACETYL COENZYME *A, ARGININE, Amino-acid acetyltransferase | Authors: | Singh, E, Tiruttani Subhramanyam, U.K, Pal, R.K, Srinivasan, A, Gourinath, S, Das, U. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis Int. J. Biol. Macromol., 125, 2019
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4Y3H
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![BU of 4y3h by Molmil](/molmil-images/mine/4y3h) | |
5YCI
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![BU of 5yci by Molmil](/molmil-images/mine/5yci) | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | Deposit date: | 2017-09-07 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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5Y1X
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4Y51
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![BU of 4y51 by Molmil](/molmil-images/mine/4y51) | Endothiapepsin in complex with fragment 52 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y5B
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![BU of 4y5b by Molmil](/molmil-images/mine/4y5b) | Endothiapepsin in complex with fragment 261 | Descriptor: | 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
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4Y5P
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![BU of 4y5p by Molmil](/molmil-images/mine/4y5p) | Endothiapepsin in complex with fragment 338 | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.229 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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