5INN
 
 | | Mouse Tdp2 D358N protein, apo state with increased disorder amongst variable DNA-binding grasp conformations | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Schellenberg, M.J, Appel, C.D, Williams, R.S. | | Deposit date: | 2016-03-07 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
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5IQK
 | | Rm3 metallo-beta-lactamase | | Descriptor: | ZINC ION, beta-lactamase Rm3 | | Authors: | Salimraj, R, Spencer, J. | | Deposit date: | 2016-03-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
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5IEV
 | | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | | 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: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 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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5INL
 | | Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex with deoxyadenosine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DNA (5'-D(P*AP*CP*GP*AP*AP*TP*TP*CP*G)-3'), ... | | Authors: | Schellenberg, M.J, Vilas, C.K, Williams, R.S. | | Deposit date: | 2016-03-07 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
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5INQ
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5IFM
 | | Human NONO (p54nrb) Homodimer | | Descriptor: | CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ... | | Authors: | Knott, G.J, Bond, C.S. | | Deposit date: | 2016-02-26 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry.
Acta Crystallogr D Struct Biol, 72, 2016
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5ISZ
 | | Crystal structure of LS01-TCR/M1-HLA-A*02 complex | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Stern, L.J, Selin, L.K, Song, I. | | Deposit date: | 2016-03-15 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope.
Nat. Struct. Mol. Biol., 24, 2017
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5I7O
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5I8U
 | | Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant | | Descriptor: | ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
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5IRO
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5I00
 | | tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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5I1L
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV4-1 | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2016-08-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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5I2C
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5IAT
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5IB5
 | | Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | | Deposit date: | 2016-02-22 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
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5IBI
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5ID9
 | | Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA) | | Descriptor: | (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ... | | Authors: | Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G. | | Deposit date: | 2016-02-24 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
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5I17
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV3-20 | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2016-08-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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5IGQ
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5IPI
 | | Structure of Adeno-associated virus type 2 VLP | | Descriptor: | Capsid protein VP1 | | Authors: | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | | Deposit date: | 2016-03-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
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5I14
 | | Truncated and mutated T4 lysozyme | | Descriptor: | NICKEL (II) ION, mutated and truncated T4 lysozyme | | Authors: | Klima, M, Boura, E. | | Deposit date: | 2016-02-05 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.745 Å) | | Cite: | Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Protein Sci., 26, 2017
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5I1D
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV4-1 | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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5IJN
 | | Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205) | | Descriptor: | NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ... | | Authors: | Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M. | | Deposit date: | 2016-03-02 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (21.4 Å) | | Cite: | Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
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5I6D
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid] | | Descriptor: | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ... | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-16 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5I7A
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid] | | Descriptor: | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-17 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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