6ZAT
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![BU of 6zat by Molmil](/molmil-images/mine/6zat) | Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.0 A resolution (unrestrained full matrix refinement by SHELX) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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7TMA
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![BU of 7tma by Molmil](/molmil-images/mine/7tma) | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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6Q4H
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![BU of 6q4h by Molmil](/molmil-images/mine/6q4h) | CDK2 in complex with FragLite36 | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7FR6
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![BU of 7fr6 by Molmil](/molmil-images/mine/7fr6) | |
7FR5
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![BU of 7fr5 by Molmil](/molmil-images/mine/7fr5) | |
7FRA
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![BU of 7fra by Molmil](/molmil-images/mine/7fra) | |
7FR7
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![BU of 7fr7 by Molmil](/molmil-images/mine/7fr7) | |
7FR8
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![BU of 7fr8 by Molmil](/molmil-images/mine/7fr8) | |
7FRB
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![BU of 7frb by Molmil](/molmil-images/mine/7frb) | |
7FR4
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![BU of 7fr4 by Molmil](/molmil-images/mine/7fr4) | |
7FR3
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![BU of 7fr3 by Molmil](/molmil-images/mine/7fr3) | |
7FRC
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![BU of 7frc by Molmil](/molmil-images/mine/7frc) | |
7FRD
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![BU of 7frd by Molmil](/molmil-images/mine/7frd) | |
7FR9
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![BU of 7fr9 by Molmil](/molmil-images/mine/7fr9) | |
1GVW
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![BU of 1gvw by Molmil](/molmil-images/mine/1gvw) | Endothiapepsin complex with PD-130,328 | Descriptor: | ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | Deposit date: | 2002-02-27 | Release date: | 2002-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism J.Mol.Biol., 318, 2002
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6NFR
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![BU of 6nfr by Molmil](/molmil-images/mine/6nfr) | CopC from Pseudomonas fluorescens | Descriptor: | CopC, SULFATE ION | Authors: | Maher, M.J. | Deposit date: | 2018-12-20 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The crystal structure of the CopC protein from Pseudomonas fluorescens reveals amended classifications for the CopC protein family. J. Inorg. Biochem., 195, 2019
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1HH3
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![BU of 1hh3 by Molmil](/molmil-images/mine/1hh3) | Decaplanin first P21-Form | Descriptor: | 4-epi-vancosamine, DECAPLANIN, GLYCEROL, ... | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | Deposit date: | 2000-12-19 | Release date: | 2005-07-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structures of Four Crystal Forms of Decaplanin Helv.Chim.Acta, 86, 2003
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8GB9
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![BU of 8gb9 by Molmil](/molmil-images/mine/8gb9) | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, LEAD (II) ION, LEU-AIB-ALA-SER-LEU-ALA-CYS-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-02-24 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
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6RZX
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![BU of 6rzx by Molmil](/molmil-images/mine/6rzx) | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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4X6H
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![BU of 4x6h by Molmil](/molmil-images/mine/4x6h) | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | Descriptor: | 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide, Cathepsin K, ... | Authors: | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | Deposit date: | 2014-12-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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8AXJ
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3WYQ
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![BU of 3wyq by Molmil](/molmil-images/mine/3wyq) | Crystal structure of the low-immunogenic core streptavidin mutant LISA-314 (Y22S/Y83S/R84K/E101D/R103K/E116N) at 1.0 A resolution | Descriptor: | BIOTIN, GLYCEROL, SULFATE ION, ... | Authors: | Kawato, T, Mizohata, E, Meshizuka, T, Doi, H, Kawamura, T, Matsumura, H, Yumura, K, Tsumoto, K, Kodama, T, Inoue, T, Sugiyama, A. | Deposit date: | 2014-09-05 | Release date: | 2014-12-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structure of streptavidin mutant with low immunogenicity. J.Biosci.Bioeng., 119, 2015
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8E77
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![BU of 8e77 by Molmil](/molmil-images/mine/8e77) | rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate | Descriptor: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ... | Authors: | Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-08-23 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T. Protein Sci., 32, 2023
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8R7M
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![BU of 8r7m by Molmil](/molmil-images/mine/8r7m) | CTX-M14 in complex with boric acid and 1,2-diol boric ester | Descriptor: | BORIC ACID, Beta-lactamase, GLYCEROL, ... | Authors: | Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C. | Deposit date: | 2023-11-26 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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3DVZ
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![BU of 3dvz by Molmil](/molmil-images/mine/3dvz) | Crystal Structure of the Sarcin/Ricin Domain from E. coli 23 S rRNA | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | Deposit date: | 2008-07-21 | Release date: | 2009-03-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures. Rna, 15, 2009
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