5KGQ
 
 | | NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi | | Descriptor: | Uncharacterized protein | | Authors: | D'Andrea, E.D, Retel, J.S, Diehl, A, Schmieder, P, Oschkinat, H, Pires, J.R. | | Deposit date: | 2016-06-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-06-12 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 213, 2021
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4R3P
 | | Crystal structures of EGFR in complex with Mig6 | | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1 | | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | | Deposit date: | 2014-08-17 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-16 | | Method: | X-RAY DIFFRACTION (2.905 Å) | | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
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1SYY
 | | Crystal structure of the R2 subunit of ribonucleotide reductase from Chlamydia trachomatis | | Descriptor: | FE (III) ION, LEAD (II) ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Hogbom, M, Stenmark, P, Voevodskaya, N, McClarty, G, Graslund, A, Nordlund, P. | | Deposit date: | 2004-04-02 | | Release date: | 2004-07-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass.
Science, 305, 2004
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7TGH
 | | Cryo-EM structure of respiratory super-complex CI+III2 from Tetrahymena thermophila | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | | Authors: | Zhou, L, Maldonado, M, Padavannil, A, Guo, F, Letts, J.A. | | Deposit date: | 2022-01-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Science, 376, 2022
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4RGJ
 | | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | | Descriptor: | Calcium-dependent protein kinase 4 | | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-30 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
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7TED
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate | | Descriptor: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | Deposit date: | 2022-01-04 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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1SZX
 | | Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | | Deposit date: | 2004-04-06 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Role of hydrogen bonding in the active site of human manganese superoxide dismutase.
Biochemistry, 43, 2004
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4RGS
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GLYCEROL, Repressor protein, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
To be Published, 2014
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4RGP
 | | Crystal Structure of Uncharacterized CRISPR/Cas System-associated Protein Csm6 from Streptococcus mutans | | Descriptor: | CALCIUM ION, Csm6_III-A, GLYCEROL, ... | | Authors: | Kim, Y, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2014-12-24 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Crystal Structure of Uncharacterized CRISPR/Cas System-associated Protein Csm6 from Streptococcus mutans
To be Published
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1T11
 | | Trigger Factor | | Descriptor: | Trigger factor | | Authors: | Ludlam, A.V, Moore, B.A, Xu, Z. | | Deposit date: | 2004-04-14 | | Release date: | 2004-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of ribosomal chaperone trigger factor from Vibrio cholerae.
Proc.Natl.Acad.Sci.USA, 101, 2004
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4RGX
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
To be Published, 2014
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4IP7
 | | Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP. | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... | | Authors: | Holyoak, T, Fenton, A.W. | | Deposit date: | 2013-01-09 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
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3EHF
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4IPJ
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6W0U
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3ZPD
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3EN4
 | | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
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6Q3Z
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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6Q43
 | | Atomic resolution crystal structure of an ABA collagen heterotrimer | | Descriptor: | GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ... | | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
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1T7X
 | | Zn-alpha-2-glycoprotein; refolded CHO-ZAG PEG 400 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | | Authors: | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | | Deposit date: | 2004-05-11 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
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2IIF
 | | single chain Integration Host Factor mutant protein (scIHF2-K45aE) in complex with DNA | | Descriptor: | DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ... | | Authors: | Bao, Q, Droege, P, Davey, C.A. | | Deposit date: | 2006-09-28 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending
J.Mol.Biol., 367, 2007
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5KOC
 | | Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7 | | Descriptor: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Torres, M.A, Hoffarth, E, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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4R10
 | | A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | | Descriptor: | 1,2-ETHANEDIOL, Cadherin-related hmr-1, Protein humpback-2, ... | | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | | Deposit date: | 2014-08-03 | | Release date: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
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7TA1
 | | Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid | | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Butrin, A, Wawrzak, Z, Liu, D. | | Deposit date: | 2021-12-20 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
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6J7T
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin | | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2019-01-18 | | Release date: | 2020-05-13 | | Last modified: | 2020-05-20 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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