8TIC
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![BU of 8tic by Molmil](/molmil-images/mine/8tic) | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ... | Authors: | Sudom, A, Min, X. | Deposit date: | 2023-07-19 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors. J.Med.Chem., 66, 2023
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8SZ3
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![BU of 8sz3 by Molmil](/molmil-images/mine/8sz3) | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ... | Authors: | Sudom, A, Min, X. | Deposit date: | 2023-05-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors. J.Med.Chem., 66, 2023
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8TJC
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![BU of 8tjc by Molmil](/molmil-images/mine/8tjc) | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a | Descriptor: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sudom, A, Min, X. | Deposit date: | 2023-07-20 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors. J.Med.Chem., 66, 2023
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7REY
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![BU of 7rey by Molmil](/molmil-images/mine/7rey) | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM | Descriptor: | SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | Deposit date: | 2021-07-13 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD) To Be Published
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7RF0
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![BU of 7rf0 by Molmil](/molmil-images/mine/7rf0) | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE AND MAGNESIUM | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | Deposit date: | 2021-07-13 | Release date: | 2023-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD) To Be Published
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7REZ
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![BU of 7rez by Molmil](/molmil-images/mine/7rez) | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | Deposit date: | 2021-07-13 | Release date: | 2023-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD) To Be Published
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7CQF
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8T5F
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![BU of 8t5f by Molmil](/molmil-images/mine/8t5f) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Parathyroid hormone | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8T5E
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![BU of 8t5e by Molmil](/molmil-images/mine/8t5e) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Bcl-2-like protein 11, Bim_fulldiff | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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3VCR
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![BU of 3vcr by Molmil](/molmil-images/mine/3vcr) | Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica | Descriptor: | PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-01-04 | Release date: | 2012-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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4K8P
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![BU of 4k8p by Molmil](/molmil-images/mine/4k8p) | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-ethylbenzyl alcohol | Descriptor: | (2-ETHYLPHENYL)METHANOL, ADENOSINE, DIMETHYL SULFOXIDE, ... | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-18 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-ethylbenzyl alcohol To be Published
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4ZE8
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![BU of 4ze8 by Molmil](/molmil-images/mine/4ze8) | PBP AccA from A. tumefaciens C58 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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7R2M
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![BU of 7r2m by Molmil](/molmil-images/mine/7r2m) | SYNJ2BP complex with a synthetic Vangl2 peptide (9mer). | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ... | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | Deposit date: | 2022-02-04 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide. To Be Published
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7R2T
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![BU of 7r2t by Molmil](/molmil-images/mine/7r2t) | SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position. | Descriptor: | CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ... | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | Deposit date: | 2022-02-05 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide. To Be Published
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4ZEI
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5E2N
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![BU of 5e2n by Molmil](/molmil-images/mine/5e2n) | Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2015-10-01 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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7CEF
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![BU of 7cef by Molmil](/molmil-images/mine/7cef) | Crystal structure of PET-degrading cutinase Cut190 /S226P/R228S/ mutant with the C-terminal three residues deletion | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION, ZINC ION | Authors: | Senga, A, Numoto, N, Ito, N, Kawai, F, Oda, M. | Deposit date: | 2020-06-23 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Multiple structural states of Ca2+-regulated PET hydrolase, Cut190, and its correlation with activity and stability. J.Biochem., 169, 2021
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1B2K
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![BU of 1b2k by Molmil](/molmil-images/mine/1b2k) | Structural effects of monovalent anions on polymorphic lysozyme crystals | Descriptor: | IODIDE ION, PROTEIN (LYSOZYME) | Authors: | Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A. | Deposit date: | 1998-11-26 | Release date: | 1998-12-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural effects of monovalent anions on polymorphic lysozyme crystals. Acta Crystallogr.,Sect.D, 57, 2001
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3W0W
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![BU of 3w0w by Molmil](/molmil-images/mine/3w0w) | The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide in space group P212121 | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-11-05 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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7ZCE
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![BU of 7zce by Molmil](/molmil-images/mine/7zce) | |
4ZEC
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![BU of 4zec by Molmil](/molmil-images/mine/4zec) | PBP AccA from A. tumefaciens C58 in complex with agrocin 84 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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7S4Z
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![BU of 7s4z by Molmil](/molmil-images/mine/7s4z) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4Y
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![BU of 7s4y by Molmil](/molmil-images/mine/7s4y) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4W
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![BU of 7s4w by Molmil](/molmil-images/mine/7s4w) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S50
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![BU of 7s50 by Molmil](/molmil-images/mine/7s50) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ... | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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