6SEA
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![BU of 6sea by Molmil](/molmil-images/mine/6sea) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep mode | Descriptor: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.869 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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7ZNU
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![BU of 7znu by Molmil](/molmil-images/mine/7znu) | cryo-EM structure of CGT ABC transporter in detergent micelle | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION | Authors: | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | Deposit date: | 2022-04-22 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella. Nat.Struct.Mol.Biol., 29, 2022
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6SE9
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![BU of 6se9 by Molmil](/molmil-images/mine/6se9) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode | Descriptor: | ACETATE ION, Beta-galactosidase, FORMIC ACID, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.965 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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7ZIL
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![BU of 7zil by Molmil](/molmil-images/mine/7zil) | JC Polyomavirus VP1 in complex with 3'-Sialyllactose glycomacromolecules (aliphatic linker) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | Deposit date: | 2022-04-08 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins. Biomacromolecules, 23, 2022
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7ZTL
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![BU of 7ztl by Molmil](/molmil-images/mine/7ztl) | |
8A1H
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![BU of 8a1h by Molmil](/molmil-images/mine/8a1h) | Bacterial 6-4 photolyase from Vibrio cholerase | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ... | Authors: | Essen, L.-O, Emmerich, H.J. | Deposit date: | 2022-06-01 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † . Photochem.Photobiol., 99, 2023
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8A67
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5FVA
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![BU of 5fva by Molmil](/molmil-images/mine/5fva) | Toscana Virus Nucleocapsid Protein | Descriptor: | NUCLEOPROTEIN, SODIUM ION | Authors: | Baklouti, A, Sevajol, M, Goulet, A, Lichiere, J, Ferron, F, Canard, B, Charrel, R.N, Coutard, B, Papageorgiou, N. | Deposit date: | 2016-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Toscana virus nucleoprotein oligomer organization observed in solution. Acta Crystallogr D Struct Biol, 73, 2017
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8A8O
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![BU of 8a8o by Molmil](/molmil-images/mine/8a8o) | PAPS reductase from Methanothermococcus thermolithotrophicus refined to 1.45 A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Alpha-subunit of the PAPS reductase from Methanothermococcus thermolithotrophicus, ... | Authors: | Jespersen, M, Wagner, T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus. Nat Microbiol, 8, 2023
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7ZSP
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![BU of 7zsp by Molmil](/molmil-images/mine/7zsp) | human purine nucleoside phosphorylase in complex with JS-555 | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-08 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZYQ
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![BU of 7zyq by Molmil](/molmil-images/mine/7zyq) | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZU6
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![BU of 7zu6 by Molmil](/molmil-images/mine/7zu6) | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2022-05-11 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.183 Å) | Cite: | Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Angew.Chem.Int.Ed.Engl., 62, 2023
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7ZUG
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![BU of 7zug by Molmil](/molmil-images/mine/7zug) | Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain | Descriptor: | CHLORIDE ION, Heterogeneous nuclear ribonucleoprotein H, N-terminally processed, ... | Authors: | Winter, N, Kumar, M, Isupov, M.N, Wiener, R. | Deposit date: | 2022-05-12 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.075 Å) | Cite: | Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain To Be Published
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7ZN1
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![BU of 7zn1 by Molmil](/molmil-images/mine/7zn1) | Avidin + Biotin-Tempo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide, ... | Authors: | Milani, J, Lau, K, Pojer, F, Ansermet, J.P, Saenz, F. | Deposit date: | 2022-04-20 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Avidin + Biotin-Tempo To Be Published
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7ZUO
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5GLO
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![BU of 5glo by Molmil](/molmil-images/mine/5glo) | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with l-arabinose, calcium-free form | Descriptor: | ACETATE ION, Glycoside hydrolase family 43, SODIUM ION, ... | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | Deposit date: | 2016-07-12 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium. J. Biochem., 162, 2017
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6SGD
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![BU of 6sgd by Molmil](/molmil-images/mine/6sgd) | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | Descriptor: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-04 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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5CNI
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![BU of 5cni by Molmil](/molmil-images/mine/5cni) | mGlu2 with Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Clawson, D.K, Atwell, S, Monn, J.A. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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7ZI1
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![BU of 7zi1 by Molmil](/molmil-images/mine/7zi1) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor | Descriptor: | Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI3
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![BU of 7zi3 by Molmil](/molmil-images/mine/7zi3) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI9
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![BU of 7zi9 by Molmil](/molmil-images/mine/7zi9) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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6SAU
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![BU of 6sau by Molmil](/molmil-images/mine/6sau) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance. | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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7ZI6
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![BU of 7zi6 by Molmil](/molmil-images/mine/7zi6) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI5
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![BU of 7zi5 by Molmil](/molmil-images/mine/7zi5) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI2
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![BU of 7zi2 by Molmil](/molmil-images/mine/7zi2) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor | Descriptor: | Deoxycytidine kinase, N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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