6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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1IUF
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![BU of 1iuf by Molmil](/molmil-images/mine/1iuf) | LOW RESOLUTION SOLUTION STRUCTURE OF THE TWO DNA-BINDING DOMAINS IN Schizosaccharomyces pombe ABP1 PROTEIN | Descriptor: | centromere abp1 protein | Authors: | Kikuchi, J, Iwahara, J, Kigawa, T, Murakami, Y, Okazaki, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-04 | Release date: | 2002-06-05 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure determination of the two DNA-binding domains in the Schizosaccharomyces pombe Abp1 protein by a combination of dipolar coupling and diffusion anisotropy restraints. J.Biomol.NMR, 22, 2002
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5LWS
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![BU of 5lws by Molmil](/molmil-images/mine/5lws) | Endothiapepsin in complex with fragment 177 and a derivative thereof | Descriptor: | 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, ... | 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 (1.03 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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6O2D
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![BU of 6o2d by Molmil](/molmil-images/mine/6o2d) | Schizosaccharomyces pombe Cnp3 Cupin Domain | Descriptor: | Inner kinetochore subunit cnp3 | Authors: | Chik, J.K, Cho, U.S. | Deposit date: | 2019-02-22 | Release date: | 2019-08-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structures of CENP-C cupin domains at regional centromeres reveal unique patterns of dimerization and recruitment functions for the inner pocket. J.Biol.Chem., 294, 2019
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6O2K
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![BU of 6o2k by Molmil](/molmil-images/mine/6o2k) | Drosophila melanogaster CENP-C cupin domain | Descriptor: | Centromeric protein-C, isoform A | Authors: | Chik, J.K, Cho, U.S. | Deposit date: | 2019-02-23 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structures of CENP-C cupin domains at regional centromeres reveal unique patterns of dimerization and recruitment functions for the inner pocket. J.Biol.Chem., 294, 2019
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5DR3
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![BU of 5dr3 by Molmil](/molmil-images/mine/5dr3) | Endothiapepsin in complex with fragment 333 | Descriptor: | 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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3VPE
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![BU of 3vpe by Molmil](/molmil-images/mine/3vpe) | Crystal Structure of Metallo-beta-Lactamase SMB-1 | Descriptor: | ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-02-29 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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3VQZ
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![BU of 3vqz by Molmil](/molmil-images/mine/3vqz) | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | Descriptor: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-04-02 | Release date: | 2013-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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3VKK
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![BU of 3vkk by Molmil](/molmil-images/mine/3vkk) | Crystal Structure Of The Covalent Intermediate Of Human Cytosolic Beta-Glucosidase-mannose complex | Descriptor: | CHLORIDE ION, Cytosolic beta-glucosidase, GLYCEROL, ... | Authors: | Noguchi, J, Hayashi, Y, Okino, N, Ito, M, Kimura, M, Kakuta, Y. | Deposit date: | 2011-11-17 | Release date: | 2012-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition mechanism of human cytosolic beta-glucosidase by monnoside To be Published
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4Y39
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![BU of 4y39 by Molmil](/molmil-images/mine/4y39) | Endothiapepsin in complex with fragment 75 | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, 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 (1.2 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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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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4Y3Q
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![BU of 4y3q by Molmil](/molmil-images/mine/4y3q) | |
4Y50
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![BU of 4y50 by Molmil](/molmil-images/mine/4y50) | |
4Y3F
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![BU of 4y3f by Molmil](/molmil-images/mine/4y3f) | |
4Y5L
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![BU of 4y5l by Molmil](/molmil-images/mine/4y5l) | Endothiapepsin in its apo form | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 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 (0.99 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4W
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4Y4Z
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![BU of 4y4z by Molmil](/molmil-images/mine/4y4z) | Endothiapepsin in complex with fragment 73 | Descriptor: | (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, 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 (1.48 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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7ZKP
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![BU of 7zkp by Molmil](/molmil-images/mine/7zkp) | Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ... | Authors: | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | Deposit date: | 2022-04-13 | Release date: | 2022-11-23 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling. Sci Adv, 8, 2022
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6A6P
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![BU of 6a6p by Molmil](/molmil-images/mine/6a6p) | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside, ... | Authors: | Chin, J.W, Cho, S.J, Song, J.Y, Ha, J.H. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 To Be Published
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7ZKQ
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![BU of 7zkq by Molmil](/molmil-images/mine/7zkq) | Early Pp module assembly intermediate of complex I | Descriptor: | CARDIOLIPIN, Complex I intermediate-associated protein 30-domain-containing protein, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | Deposit date: | 2022-04-13 | Release date: | 2022-11-23 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling. Sci Adv, 8, 2022
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5YD7
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![BU of 5yd7 by Molmil](/molmil-images/mine/5yd7) | Crystal Structure OF VIM-2 Metallo-beta-lactamase | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION | Authors: | Wachino, J. | Deposit date: | 2017-09-11 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Of VIM-2 Metallo-beta-lactamase To Be Published
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6SSZ
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![BU of 6ssz by Molmil](/molmil-images/mine/6ssz) | Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | Deposit date: | 2019-09-09 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site. Malar.J., 18, 2019
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5OZZ
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![BU of 5ozz by Molmil](/molmil-images/mine/5ozz) | |