7LL9
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![BU of 7ll9 by Molmil](/molmil-images/mine/7ll9) | D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A | Descriptor: | Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2 | Authors: | Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S. | Deposit date: | 2021-02-03 | Release date: | 2021-03-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth. Acs Chem.Biol., 16, 2021
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6QCU
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6JQ3
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![BU of 6jq3 by Molmil](/molmil-images/mine/6jq3) | Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide | Descriptor: | Beta-2-microglobulin, DPAGT1 mutant antigen SIIVFNLL, H-2 class I histocompatibility antigen, ... | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | Deposit date: | 2019-03-28 | Release date: | 2020-05-06 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy. Oncoimmunology, 10, 2021
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7LBR
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![BU of 7lbr by Molmil](/molmil-images/mine/7lbr) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89 | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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6C5D
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7QAY
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8A9Q
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![BU of 8a9q by Molmil](/molmil-images/mine/8a9q) | Computational design of stable mammalian serum albumins for bacterial expression | Descriptor: | Albumin, LAURIC ACID, MYRISTIC ACID, ... | Authors: | Khersonsky, O, Dym, O, Fleishman, J.S. | Deposit date: | 2022-06-29 | Release date: | 2023-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stable Mammalian Serum Albumins Designed for Bacterial Expression. J.Mol.Biol., 435, 2023
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5HIO
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8AI8
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6JPT
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![BU of 6jpt by Molmil](/molmil-images/mine/6jpt) | Crystal structure of human PAC3 homodimer (trigonal form) | Descriptor: | POTASSIUM ION, Proteasome assembly chaperone 3, THIOCYANATE ION | Authors: | Satoh, T, Yagi-Utsumi, M, Okamoto, K, Kurimoto, E, Tanaka, K, Kato, K. | Deposit date: | 2019-03-27 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer. Int J Mol Sci, 20, 2019
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6FPF
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7LOT
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7QOA
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![BU of 7qoa by Molmil](/molmil-images/mine/7qoa) | Structure of CodB, a cytosine transporter in an outward-facing conformation | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | Authors: | Hatton, C.E, Cameron, A.D. | Deposit date: | 2021-12-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism. Embo J., 41, 2022
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6QDY
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![BU of 6qdy by Molmil](/molmil-images/mine/6qdy) | The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea | Descriptor: | 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-01-03 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme. Angew.Chem.Int.Ed.Engl., 58, 2019
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7QNK
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![BU of 7qnk by Molmil](/molmil-images/mine/7qnk) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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5FVY
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![BU of 5fvy by Molmil](/molmil-images/mine/5fvy) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2016-06-08 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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8SM8
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7QOR
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![BU of 7qor by Molmil](/molmil-images/mine/7qor) | Structure of beta-lactamase TEM-171 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | Deposit date: | 2021-12-28 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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5UV4
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![BU of 5uv4 by Molmil](/molmil-images/mine/5uv4) | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein | Authors: | Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-17 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP To Be Published
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6YMH
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![BU of 6ymh by Molmil](/molmil-images/mine/6ymh) | X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | Descriptor: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-08 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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8AS2
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![BU of 8as2 by Molmil](/molmil-images/mine/8as2) | Structure of arrestin2 in complex with 4P CCR5 phosphopeptide and Fab30 | Descriptor: | Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ... | Authors: | Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S. | Deposit date: | 2022-08-18 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes. Mol.Cell, 83, 2023
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6QEO
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![BU of 6qeo by Molmil](/molmil-images/mine/6qeo) | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ... | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | Deposit date: | 2019-01-08 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
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8SMA
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![BU of 8sma by Molmil](/molmil-images/mine/8sma) | SfbO with di-Manganese cofactor | Descriptor: | Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION | Authors: | Liu, C, Rittle, J. | Deposit date: | 2023-04-25 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Bioinformatic Discovery of a Cambialistic Monooxygenase. J.Am.Chem.Soc., 146, 2024
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6YPW
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![BU of 6ypw by Molmil](/molmil-images/mine/6ypw) | Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | Descriptor: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2020-04-16 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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6G0J
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![BU of 6g0j by Molmil](/molmil-images/mine/6g0j) | Inactive Fe-PP1 | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Salvi, F, Barabas, O, Koehn, M. | Deposit date: | 2018-03-18 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Effects of stably incorporated iron on protein phosphatase-1 structure and activity. FEBS Lett., 592, 2018
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