7NVQ
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![BU of 7nvq by Molmil](/molmil-images/mine/7nvq) | Aerosol-soaked human cdk2 crystals with Staurosporine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-03-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
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1AHP
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![BU of 1ahp by Molmil](/molmil-images/mine/1ahp) | OLIGOSACCHARIDE SUBSTRATE BINDING IN ESCHERICHIA COLI MALTODEXTRIN PHSPHORYLASE | Descriptor: | E.COLI MALTODEXTRIN PHOSPHORYLASE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | O'Reilly, M, Watson, K.A, Schinzel, R, Palm, D, Johnson, L.N. | Deposit date: | 1997-04-10 | Release date: | 1997-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Oligosaccharide substrate binding in Escherichia coli maltodextrin phosphorylase. Nat.Struct.Biol., 4, 1997
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1AIV
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![BU of 1aiv by Molmil](/molmil-images/mine/1aiv) | APO OVOTRANSFERRIN | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN | Authors: | Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M. | Deposit date: | 1997-04-28 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron J.Biol.Chem., 274, 1999
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7O4P
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![BU of 7o4p by Molmil](/molmil-images/mine/7o4p) | Cystal structure of Zymogen Granule Protein 16 (ZG16) | Descriptor: | CHLORIDE ION, GLYCEROL, Zymogen granule membrane protein 16 | Authors: | Javitt, G, Fass, D. | Deposit date: | 2021-04-07 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Conformational switches and redox properties of the colon cancer-associated human lectin ZG16. Febs J., 288, 2021
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7O3I
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![BU of 7o3i by Molmil](/molmil-images/mine/7o3i) | Cystal structure of Zymogen Granule Protein 16 (ZG16) | Descriptor: | CHLORIDE ION, GLYCEROL, Zymogen granule membrane protein 16 | Authors: | Javitt, G, Fass, D. | Deposit date: | 2021-04-01 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational switches and redox properties of the colon cancer-associated human lectin ZG16. Febs J., 288, 2021
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6Q3X
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![BU of 6q3x by Molmil](/molmil-images/mine/6q3x) | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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7O88
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![BU of 7o88 by Molmil](/molmil-images/mine/7o88) | |
7OLF
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![BU of 7olf by Molmil](/molmil-images/mine/7olf) | |
7P99
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![BU of 7p99 by Molmil](/molmil-images/mine/7p99) | Structure of human USPL1 in complex with SUMO2 | Descriptor: | SUMO-specific isopeptidase USPL1, Small ubiquitin-related modifier, ZINC ION | Authors: | Reverter, D, Ying, L. | Deposit date: | 2021-07-26 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the SUMO protease activity of the atypical ubiquitin-specific protease USPL1. Nat Commun, 13, 2022
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7P6G
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![BU of 7p6g by Molmil](/molmil-images/mine/7p6g) | Crystal structure of the endoglucanase RBcel1 E135Q | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase | Authors: | Collet, L, Dutoit, R. | Deposit date: | 2021-07-16 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1. Acta Crystallogr D Struct Biol, 78, 2022
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7P6I
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![BU of 7p6i by Molmil](/molmil-images/mine/7p6i) | Crystal structure of the endoglucanase RBcel1 Y201F | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase | Authors: | Collet, L, Dutoit, R. | Deposit date: | 2021-07-16 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1. Acta Crystallogr D Struct Biol, 78, 2022
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7OY6
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![BU of 7oy6 by Molmil](/molmil-images/mine/7oy6) | Crystal structure of human DYRK1A in complex with ARN25068 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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7OY5
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![BU of 7oy5 by Molmil](/molmil-images/mine/7oy5) | Crystal structure of GSK3Beta in complex with ARN25068 | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | Deposit date: | 2021-06-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
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7OWX
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
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![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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6PXH
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![BU of 6pxh by Molmil](/molmil-images/mine/6pxh) | Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFOLIC ACID, ... | Authors: | Wang, N, McLellan, J.S. | Deposit date: | 2019-07-26 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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7P8X
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![BU of 7p8x by Molmil](/molmil-images/mine/7p8x) | Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with a doubly sulfated CCR2 N-terminal peptide | Descriptor: | C-C chemokine receptor type 2, IMIDAZOLE, Leucotoxin LukEv, ... | Authors: | Lambey, P, Hoh, F, Peysson, F, Granier, S, Leyrat, C. | Deposit date: | 2021-07-23 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins. Elife, 11, 2022
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7P7G
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![BU of 7p7g by Molmil](/molmil-images/mine/7p7g) | Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ... | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-19 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol.Cell, 82, 2022
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7P7H
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7P0X
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![BU of 7p0x by Molmil](/molmil-images/mine/7p0x) | Crystal structure of Thioredoxin reductase from Brugia Malayi | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L. | Deposit date: | 2021-06-30 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus. Redox Biol, 51, 2022
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7P7F
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![BU of 7p7f by Molmil](/molmil-images/mine/7p7f) | Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 1 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-19 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol.Cell, 82, 2022
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6Q27
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![BU of 6q27 by Molmil](/molmil-images/mine/6q27) | N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase | Authors: | Coombes, D, Horne, C.R, Davies, J.S, Dobson, R.C.J. | Deposit date: | 2019-08-07 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus. J.Biol.Chem., 295, 2020
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7PC5
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![BU of 7pc5 by Molmil](/molmil-images/mine/7pc5) | The third PDZ domain of PDZD7 complexed with the PDZ-binding motif of EXOC4 | Descriptor: | CALCIUM ION, Exocyst complex component 4, GLYCEROL, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7PC8
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![BU of 7pc8 by Molmil](/molmil-images/mine/7pc8) | The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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