8OUR
 
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16 | | Descriptor: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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5E8O
 | | The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU in complex with H-2D(b) | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | | Deposit date: | 2015-10-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
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7QE2
 | | Crystal structure of D-glucuronic acid bound to SN243 | | Descriptor: | ACETATE ION, SN243, SULFATE ION, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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5K7F
 | | Crystal structure of apo AibR | | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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7OOW
 | | Crystal structure of PIM1 in complex with ARC-1415 | | Descriptor: | 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ... | | Authors: | Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
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5VZ6
 | | HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide | | Descriptor: | 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide, HIV Reverse Transcriptase | | Authors: | Yan, Y, Su, H.P. | | Deposit date: | 2017-05-26 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | HIV Reverse Transcriptase complexed with inhibitor
To Be Published
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8CE0
 | | N-terminal domain of human apolipoprotein E | | Descriptor: | GLYCEROL, Maltodextrin-binding protein,Apolipoprotein E | | Authors: | Marek, M, Nemergut, M. | | Deposit date: | 2023-02-01 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
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5E8X
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE | | Descriptor: | GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2015-10-14 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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8C7S
 | | Transcriptional pleiotropic repressor CodY from Staphylococcus aureus in complex with Ile, GTP, and a 30-bp DNA fragment encompassing two overlapping binding sites | | Descriptor: | DNA (30-MER), GUANOSINE-5'-TRIPHOSPHATE, Global transcriptional regulator CodY (Fragment), ... | | Authors: | Hainzl, T, Sauer-Eriksson, A.E. | | Deposit date: | 2023-01-17 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
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6NLT
 | | Apo structure of the T130K mutant of ANT-4 | | Descriptor: | CALCIUM ION, Kanamycin nucleotidyltransferase | | Authors: | Selvaraj, B, Cuneo, M.J. | | Deposit date: | 2019-01-09 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction
To be published
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7ONN
 | | Crystal structure of PBP3 transpeptidase domain from E. coli in complex with AIC499 | | Descriptor: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, DODECAETHYLENE GLYCOL, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Freischem, S, Grimm, I, Weiergraeber, O.H. | | Deposit date: | 2021-05-25 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
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8OW4
 | | 2.75 angstrom crystal structure of human NFAT1 with bound DNA | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*TP*TP*CP*CP*AP*GP*C)-3'), DNA (5'-D(*TP*TP*GP*CP*TP*GP*GP*AP*AP*AP*AP*AP*TP*AP*G)-3'), Nuclear factor of activated T-cells, ... | | Authors: | Lopez-Sagaseta, J, Erausquin, E, Hernandez-Morales, S, Urdiciain, A, Lasarte, J.J, Lozano, T. | | Deposit date: | 2023-04-27 | | Release date: | 2023-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 angstrom crystal structure of human NFAT1 with bound DNA
Not published
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5K7P
 | | MicroED structure of xylanase at 2.3 A resolution | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | Deposit date: | 2016-05-26 | | Release date: | 2017-04-05 | | Last modified: | 2024-02-28 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.3 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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7QE1
 | | Crystal structure of apo SN243 | | Descriptor: | SN243, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7ONX
 | | Crystal structure of PBP3 from P. aeruginosa | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Freischem, S, Grimm, I, Weiergraeber, O.H. | | Deposit date: | 2021-05-26 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
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6NLZ
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D | | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-01-10 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
To Be Published
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8CDY
 | | N-terminal domain of human apolipoprotein E | | Descriptor: | Maltodextrin-binding protein,Apolipoprotein E | | Authors: | Marek, M, Nemergut, M. | | Deposit date: | 2023-02-01 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
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5VZN
 | | Wild-type sperm whale myoglobin with nitric oxide | | Descriptor: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2017-05-29 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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5VZR
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8CP0
 | | Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form) | | Descriptor: | CALCIUM ION, subtilisin | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.251 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
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7OMF
 | | Structure of a minimal SF3B core in complex with sudemycin D6 (form I) | | Descriptor: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ... | | Authors: | Cretu, C, Pena, V. | | Deposit date: | 2021-05-21 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
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8COZ
 | | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.438 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
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7QFB
 | | Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3C, ... | | Authors: | Semrau, M.S, Storici, P, Lolli, G. | | Deposit date: | 2021-12-05 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
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6O2H
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7QR3
 | | Chimpanzee CPEB3 HDV-like ribozyme | | Descriptor: | GLYCEROL, POTASSIUM ION, U1 small nuclear ribonucleoprotein A, ... | | Authors: | Przytula-Mally, A.I, Engilberge, S, Johannsen, S, Olieric, V, Masquida, B, Sigel, R.K.O. | | Deposit date: | 2022-01-10 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Anticodon-like loop-mediated dimerization in the crystal structures of HdV-like CPEB3 ribozymes
Biorxiv, 2022
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