5NBU
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5NFX
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![BU of 5nfx by Molmil](/molmil-images/mine/5nfx) | Deinococcus radiodurans BphP PAS-GAF Y263F mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | Authors: | Takala, H, Westenhoff, S, Ihalainen, J.A. | Deposit date: | 2017-03-16 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | On the (un)coupling of the chromophore, tongue interactions, and overall conformation in a bacterial phytochrome. J. Biol. Chem., 293, 2018
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5NFJ
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![BU of 5nfj by Molmil](/molmil-images/mine/5nfj) | Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitochondrial ribonuclease P protein 1, ... | Authors: | Oerum, S, Kopec, J, Fitzpatrick, F, Newman, J.A, Chalk, R, Shrestha, L, Fairhead, M, Talon, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, C, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-14 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM) To Be Published
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5NG7
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![BU of 5ng7 by Molmil](/molmil-images/mine/5ng7) | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | Deposit date: | 2017-03-17 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments. Front Bioeng Biotechnol, 6, 2018
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5LR8
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![BU of 5lr8 by Molmil](/molmil-images/mine/5lr8) | Structure of plastidial phosphorylase Pho1 from Barley | Descriptor: | Alpha-1,4 glucan phosphorylase, CITRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M. | Deposit date: | 2016-08-18 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development. PLoS ONE, 12, 2017
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5M1A
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![BU of 5m1a by Molmil](/molmil-images/mine/5m1a) | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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5LTX
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![BU of 5ltx by Molmil](/molmil-images/mine/5ltx) | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET | Descriptor: | ACETATE ION, Chemotaxis protein, FORMIC ACID, ... | Authors: | Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-07 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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5LKX
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![BU of 5lkx by Molmil](/molmil-images/mine/5lkx) | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5M18
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![BU of 5m18 by Molmil](/molmil-images/mine/5m18) | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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5NA4
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![BU of 5na4 by Molmil](/molmil-images/mine/5na4) | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | Deposit date: | 2017-02-27 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus. Biochim. Biophys. Acta, 1858, 2017
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5LQF
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![BU of 5lqf by Molmil](/molmil-images/mine/5lqf) | CDK1/CyclinB1/CKS2 in complex with NU6102 | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | Deposit date: | 2016-08-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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5LKU
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![BU of 5lku by Molmil](/molmil-images/mine/5lku) | Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | Descriptor: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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4M9T
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5LY7
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![BU of 5ly7 by Molmil](/molmil-images/mine/5ly7) | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-09-25 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5LWE
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![BU of 5lwe by Molmil](/molmil-images/mine/5lwe) | Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon | Descriptor: | C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ... | Authors: | Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H. | Deposit date: | 2016-09-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Intracellular allosteric antagonism of the CCR9 receptor. Nature, 540, 2016
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4HDU
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5LRA
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![BU of 5lra by Molmil](/molmil-images/mine/5lra) | Plastidial phosphorylase PhoI from barley in complex with maltotetraose | Descriptor: | Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M. | Deposit date: | 2016-08-18 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development. PLoS ONE, 12, 2017
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5LWW
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![BU of 5lww by Molmil](/molmil-images/mine/5lww) | Crystal structure of a laccase-like multicopper oxidase McoG from Aspergillus niger bound to zinc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | Deposit date: | 2016-09-19 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure and function of Aspergillus niger laccase McoG Biocatalysis, 2017
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5NXD
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![BU of 5nxd by Molmil](/molmil-images/mine/5nxd) | LIM Domain Kinase 2 (LIMK2) In Complex With TH-300 | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide, LIM domain kinase 2 | Authors: | Mathea, S, Salah, E, Hanke, T, Newman, J.A, Oerum, S, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | Deposit date: | 2017-05-10 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | LIM Domain Kinase 2 (LIMK2)In Complex With TH-300 To Be Published
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4M9F
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![BU of 4m9f by Molmil](/molmil-images/mine/4m9f) | Dengue virus NS2B-NS3 protease A125C variant at pH 8.5 | Descriptor: | NS2B-NS3 protease | Authors: | Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A. | Deposit date: | 2013-08-14 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus. Acs Chem.Biol., 8, 2013
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5OAU
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4HDV
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4PLX
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![BU of 4plx by Molmil](/molmil-images/mine/4plx) | Crystal structure of the triple-helical stability element at the 3' end of MALAT1 | Descriptor: | Core ENE hairpin and A-rich tract from MALAT1 | Authors: | Brown, J.A, Bulkley, D, Wang, J, Valenstein, M.L, Yario, T.A, Steitz, T.A, Steitz, J.A. | Deposit date: | 2014-05-19 | Release date: | 2014-06-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural insights into the stabilization of MALAT1 noncoding RNA by a bipartite triple helix. Nat.Struct.Mol.Biol., 21, 2014
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7RUJ
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![BU of 7ruj by Molmil](/molmil-images/mine/7ruj) | E. coli cysteine desulfurase SufS N99A | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Gogar, R, Frantom, P.A. | Deposit date: | 2021-08-17 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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7RW3
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![BU of 7rw3 by Molmil](/molmil-images/mine/7rw3) | E. coli cysteine desulfurase SufS N99D | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Gogar, R, Frantom, P.A. | Deposit date: | 2021-08-19 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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