6WZ8
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![BU of 6wz8 by Molmil](/molmil-images/mine/6wz8) | Complex of Pseudomonas 7A Glutaminase-Asparaginase with Citrate Anion at pH 5.5. Covalent Acyl-Enzyme Intermediate | Descriptor: | CITRIC ACID, Glutaminase-asparaginase | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | Deposit date: | 2020-05-13 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria. Sci Rep, 10, 2020
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5KX2
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7P9D
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![BU of 7p9d by Molmil](/molmil-images/mine/7p9d) | Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | Authors: | Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D. | Deposit date: | 2021-07-27 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii. J.Struct.Biol., 214, 2021
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5ICP
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![BU of 5icp by Molmil](/molmil-images/mine/5icp) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-23 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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7UED
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![BU of 7ued by Molmil](/molmil-images/mine/7ued) | Crystal structure of full length mesothelin bound with MORAb-009 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ... | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-21 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
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7R6G
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![BU of 7r6g by Molmil](/molmil-images/mine/7r6g) | Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | Descriptor: | Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7P1J
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![BU of 7p1j by Molmil](/molmil-images/mine/7p1j) | Cryo EM structure of bison NHA2 in detergent structure | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | Deposit date: | 2021-07-01 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
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7P1I
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![BU of 7p1i by Molmil](/molmil-images/mine/7p1i) | Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | Deposit date: | 2021-07-01 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
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5IDN
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![BU of 5idn by Molmil](/molmil-images/mine/5idn) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-24 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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6E5X
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![BU of 6e5x by Molmil](/molmil-images/mine/6e5x) | Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30 | Authors: | Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2018-07-23 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication. Cell, 175, 2018
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7R7V
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![BU of 7r7v by Molmil](/molmil-images/mine/7r7v) | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 | Descriptor: | Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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7R7W
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![BU of 7r7w by Molmil](/molmil-images/mine/7r7w) | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | Descriptor: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, MHC class I antigen | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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6ZT5
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![BU of 6zt5 by Molmil](/molmil-images/mine/6zt5) | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | Descriptor: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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8JMA
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6ZT4
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![BU of 6zt4 by Molmil](/molmil-images/mine/6zt4) | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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5AD3
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![BU of 5ad3 by Molmil](/molmil-images/mine/5ad3) | Bivalent binding to BET bromodomains | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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6ZT3
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![BU of 6zt3 by Molmil](/molmil-images/mine/6zt3) | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6LM3
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![BU of 6lm3 by Molmil](/molmil-images/mine/6lm3) | Neutralization mechanism of a monoclonal antibody targeting a porcine circovirus type 2 Cap protein conformational epitope | Descriptor: | Capsid protein | Authors: | Sun, Z, Huang, L, Xia, D, Wei, Y, Sun, E, Zhu, H, Bian, H, Wu, H, Feng, L, Wang, J, Liu, C. | Deposit date: | 2019-12-24 | Release date: | 2020-02-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Neutralization Mechanism of a Monoclonal Antibody Targeting a Porcine Circovirus Type 2 Cap Protein Conformational Epitope. J.Virol., 94, 2020
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6M9I
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![BU of 6m9i by Molmil](/molmil-images/mine/6m9i) | L-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | Descriptor: | Ice nucleation protein | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | Deposit date: | 2018-08-23 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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6E99
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7R80
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![BU of 7r80 by Molmil](/molmil-images/mine/7r80) | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | Descriptor: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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6ZM0
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5IF1
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![BU of 5if1 by Molmil](/molmil-images/mine/5if1) | Crystal structure apo CDK2/cyclin A | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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6E6I
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![BU of 6e6i by Molmil](/molmil-images/mine/6e6i) | Crystal structure of 4-methyl HOPDA bound to LigY from Sphingobium sp. strain SYK-6 | Descriptor: | (1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate, 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, ZINC ION | Authors: | Kuatsjah, E, Chan, A.C, Hurst, T.E, Snieckus, V, Murphy, M.E, Eltis, L.D. | Deposit date: | 2018-07-24 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Metal- and Serine-Dependent Meta-Cleavage Product Hydrolases Utilize Similar Nucleophile-Activation Strategies Acs Catalysis, 8, 2018
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5KSO
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![BU of 5kso by Molmil](/molmil-images/mine/5kso) | hMiro1 C-domain GDP-Pi Complex P3121 Crystal Form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1, PHOSPHATE ION | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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