5ZSZ
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![BU of 5zsz by Molmil](/molmil-images/mine/5zsz) | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 | Descriptor: | CALCIUM ION, Catechol 2,3-dioxygenase, Extradiol ring cleavage protein, ... | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | Deposit date: | 2018-04-30 | Release date: | 2019-05-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 To Be Published
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7N3H
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![BU of 7n3h by Molmil](/molmil-images/mine/7n3h) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7SA2
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![BU of 7sa2 by Molmil](/molmil-images/mine/7sa2) | |
6LCF
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![BU of 6lcf by Molmil](/molmil-images/mine/6lcf) | Crystal Structure of beta-L-arabinobiose binding protein - native | Descriptor: | ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose | Authors: | Miyake, M, Arakawa, T, Fushinobu, S. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum. Febs J., 287, 2020
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8OYP
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![BU of 8oyp by Molmil](/molmil-images/mine/8oyp) | Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity. J.Biol.Chem., 299, 2023
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7N3F
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![BU of 7n3f by Molmil](/molmil-images/mine/7n3f) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7VQM
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![BU of 7vqm by Molmil](/molmil-images/mine/7vqm) | GH2 beta-galacturonate AqGalA in complex with galacturonide | Descriptor: | CHLORIDE ION, GH2 beta-galacturonate AqGalA, beta-D-galactopyranuronic acid | Authors: | Yang, J. | Deposit date: | 2021-10-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Biochemical Basis of a Marine Bacterial Glycoside Hydrolase Family 2 beta-Glycosidase with Broad Substrate Specificity Appl.Environ.Microbiol., 88, 2022
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6L5V
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![BU of 6l5v by Molmil](/molmil-images/mine/6l5v) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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8P84
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![BU of 8p84 by Molmil](/molmil-images/mine/8p84) | X-ray structure of Thermoanaerobacterales bacterium monoamine oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Basile, L, Santema, L.L, Fraaije, M.W, Binda, C. | Deposit date: | 2023-05-31 | Release date: | 2023-10-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and structural characterization of a thermostable bacterial monoamine oxidase. Febs J., 291, 2024
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8BST
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![BU of 8bst by Molmil](/molmil-images/mine/8bst) | Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2022-11-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure. Febs J., 291, 2024
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7S26
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![BU of 7s26 by Molmil](/molmil-images/mine/7s26) | ROCK1 IN COMPLEX WITH LIGAND G5018 | Descriptor: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | Deposit date: | 2021-09-03 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.744 Å) | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
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6UNN
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5ZTF
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![BU of 5ztf by Molmil](/molmil-images/mine/5ztf) | Structure of Ca2+ ATPase | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Inoue, M, Watanabe, S, Inaba, K. | Deposit date: | 2018-05-03 | Release date: | 2019-05-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay. Cell Rep, 27, 2019
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8BVA
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![BU of 8bva by Molmil](/molmil-images/mine/8bva) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, L(+)-TARTARIC ACID, POTASSIUM ION, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-12-02 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 To Be Published
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6OM5
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![BU of 6om5 by Molmil](/molmil-images/mine/6om5) | Structure of a haemophore from Haemophilus haemolyticus | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Torrado, M, Walshe, J.L, Mackay, J.P, Guss, J.M, Gell, D.A. | Deposit date: | 2019-04-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A heme-binding protein produced by Haemophilus haemolyticus inhibits non-typeable Haemophilus influenzae. Mol.Microbiol., 113, 2020
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8BBX
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![BU of 8bbx by Molmil](/molmil-images/mine/8bbx) | Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ... | Authors: | Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W. | Deposit date: | 2022-10-14 | Release date: | 2023-12-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger. Protein Sci., 33, 2024
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8OYY
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![BU of 8oyy by Molmil](/molmil-images/mine/8oyy) | De novo designed soluble GPCR-like fold GLF_32 | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION | Authors: | Pacesa, M, Correia, B.E. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Computational design of soluble and functional membrane protein analogues. Nature, 631, 2024
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6TWI
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![BU of 6twi by Molmil](/molmil-images/mine/6twi) | Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-13 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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8OXY
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7S4E
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![BU of 7s4e by Molmil](/molmil-images/mine/7s4e) | |
8BX6
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![BU of 8bx6 by Molmil](/molmil-images/mine/8bx6) | Crystal structure of JAK2 JH1 in complex with cerdulatinib | Descriptor: | Cerdulatinib, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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6TX0
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![BU of 6tx0 by Molmil](/molmil-images/mine/6tx0) | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-13 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6L77
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![BU of 6l77 by Molmil](/molmil-images/mine/6l77) | Crystal structure of MS5 from Brassica napus | Descriptor: | MS5a | Authors: | Wang, X, Guan, Z.Y, Yin, P. | Deposit date: | 2019-10-31 | Release date: | 2020-06-03 | Last modified: | 2020-12-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of the meiosis-related protein MS5 reveals non-canonical papain enhancement by cystatin-like folds. Febs Lett., 594, 2020
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7SA0
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![BU of 7sa0 by Molmil](/molmil-images/mine/7sa0) | Crystal structure of CDK2 liganded with compound EF4195 | Descriptor: | 1,2-ETHANEDIOL, 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-21 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) To Be Published
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8BXH
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![BU of 8bxh by Molmil](/molmil-images/mine/8bxh) | Crystal structure of JAK2 JH1 in complex with momelotinib | Descriptor: | MALONATE ION, Momelotinib, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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