Mine: Updated entries

5YYA
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CRYSTAL STRUCTURE OF TANDEM TUDOR DOMAIN OF HUMAN UHRF1
Descriptor:E3 ubiquitin-protein ligase UHRF1, 1,2-ETHANEDIOL, SULFATE ION
Authors:Kori, S., Defossez, P.A., Arita, K.
Deposit date:2017-12-08
Release date:2018-12-12
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
6ISD
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CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA HPPD COMPLEXED WITH SULCOTRIONE
Descriptor:4-hydroxyphenylpyruvate dioxygenase, 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, COBALT (II) ION
Authors:Yang, W.C., Yang, G.F.
Deposit date:2018-11-16
Release date:2018-11-28
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
5YR4
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HUMAN METHIONINE AMINOPEPTIDASE TYPE 1B (F309M MUTANT) IN COMLEX WITH TNP470
Descriptor:Methionine aminopeptidase 1, COBALT (II) ION, POTASSIUM ION, ...
Authors:Arya, T., Pillalamarri, V., Addlagatta, A.
Deposit date:2017-11-08
Release date:2018-11-14
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Natural Product Ovalicin Sensitive Type 1 Methionine Aminopeptidases: Molecular and Structural Basis.
Biochem. J., 2019
5YR5
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HUMAN METHIONINE AMINOPEPTIDASE TYPE 1B (F309L MUTANT) IN COMPLEX WITH OVALICIN
Descriptor:Methionine aminopeptidase 1, COBALT (II) ION, SODIUM ION, ...
Authors:Pillalamarri, V., Arya, T., Addlagatta, A.
Deposit date:2017-11-08
Release date:2018-11-14
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Natural Product Ovalicin Sensitive Type 1 Methionine Aminopeptidases: Molecular and Structural Basis.
Biochem. J., 2019
5YR6
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HUMAN METHIONINE AMINOPEPTIDASE TYPE 1B (F309L MUTANT) IN COMPLEX WITH TNP470
Descriptor:Methionine aminopeptidase 1, COBALT (II) ION, SODIUM ION, ...
Authors:Pillalamarri, V., Arya, T., Addlagatta, A.
Deposit date:2017-11-08
Release date:2018-11-14
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Natural Product Ovalicin Sensitive Type 1 Methionine Aminopeptidases: Molecular and Structural Basis.
Biochem. J., 2019
6BFY
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CRYSTAL STRUCTURE OF ENOLASE FROM ESCHERICHIA COLI WITH BOUND 2-PHOSPHOGLYCERATE SUBSTRATE
Descriptor:Enolase, 2-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, ...
Authors:Erlandsen, H., Wright, D., Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6BFZ
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CRYSTAL STRUCTURE OF ENOLASE FROM E. COLI WITH A MIXTURE OF APO FORM, SUBSTRATE, AND PRODUCT FORM
Descriptor:Enolase, MAGNESIUM ION, SULFATE ION, ...
Authors:Erlandsen, H., Wright, D., Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
5YKP
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HUMAN METHIONINE AMINOPEPTIDASE TYPE 1B (F309M MUTANT) IN COMPLEX WITH OVALICIN
Descriptor:Methionine aminopeptidase 1, COBALT (II) ION, POTASSIUM ION, ...
Authors:Arya, T., Pillalamarri, V., Addlagatta, A.
Deposit date:2017-10-15
Release date:2018-10-17
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of Natural Product Ovalicin Sensitive Type 1 Methionine Aminopeptidases: Molecular and Structural Basis.
Biochem. J., 2019
6M7Z
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A DIVERGENT KINASE LACKING THE GLYCINE-RICH LOOP REGULATES MEMBRANE ULTRASTRUCTURE OF THE TOXOPLASMA PARASITOPHOROUS VACUOLE
Descriptor:Bradyzoite pseudokinase 1, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Beraki, T., Borek, D.M., Reese, M.L.
Deposit date:2018-08-21
Release date:2018-10-17
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergent kinase regulates membrane ultrastructure of theToxoplasmaparasitophorous vacuole.
Proc. Natl. Acad. Sci. U.S.A., 2019
6DV2
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CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL TRIFUNCTIONAL PROTEIN
Descriptor:Trifunctional enzyme subunit beta, mitochondrial, Trifunctional enzyme subunit alpha
Authors:Fu, Z., Xia, C., Battaile, K.P., Kim, J.P.
Deposit date:2018-06-22
Release date:2018-09-26
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of human mitochondrial trifunctional protein, a fatty acid beta-oxidation metabolon.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OSP
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 1
Descriptor:Casein kinase II subunit alpha, ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION, ...
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSR
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 1
Descriptor:Casein kinase II subunit alpha, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSU
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH ANALOGUES OF COMPOUND 1
Descriptor:Casein kinase II subunit alpha, ACETATE ION, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTP
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 22
Descriptor:Casein kinase II subunit alpha, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-22
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTS
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 22
Descriptor:Casein kinase II subunit alpha, 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-22
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5YB1
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STRUCTURE AND FUNCTION OF HUMAN SERUM ALBUMIN-METAL AGENT COMPLEX
Descriptor:Serum albumin, PALMITIC ACID, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Authors:Yang, F., Wang, T., Wang, J., Gou, Y., Zhang, Z.L.
Deposit date:2017-09-02
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
6DCF
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CRYSTAL STRUCTURE OF A MYCOBACTERIUM SMEGMATIS TRANSCRIPTION INITIATION COMPLEX WITH RIFAMPICIN-RESISTANT RNA POLYMERASE AND BOUND TO KANGLEMYCIN A
Descriptor:RNA polymerase-binding protein RbpA, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Lilic, M., Darst, S.A., Campbell, E.A.
Deposit date:2018-05-06
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
6E8Q
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S. CEREVISIAE CYP51 COMPLEXED WITH POSACONAZOLE
Descriptor:Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, POSACONAZOLE, ...
Authors:Tyndall, J.D., Keniya, M.V., Sabherwal, M., Monk, B.C.
Deposit date:2018-07-30
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019
5ONJ
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YNDL IN COMPLEX WITH 5 AMINO ACID (PGA) COMPLEX
Descriptor:YndL, (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, ZINC ION
Authors:Ramaswamy, S., Rasheed, M., Morelli, C., Calvio, C., Sutton, B., Pastore, A.
Deposit date:2017-08-03
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of PghL hydrolase bound to its substrate poly-gamma-glutamate.
Febs J., 285, 2018
6ARZ
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STRUCTURE OF A PHAGE ANTI-CRISPR PROTEIN
Descriptor:Uncharacterized protein, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Calmettes, C., Shah, M., Pawluk, A., Davidson, A.R., Maxwell, K.L., Moraes, T.F.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
6AS3
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STRUCTURE OF A PHAGE ANTI-CRISPR PROTEIN
Descriptor:NHis AcrE1 protein
Authors:Shah, M., Calmettes, C., Pawluk, A., Mejdani, M., Davidson, A.R., Maxwell, K.L., Moraes, T.F.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
6EE5
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REACTIVE CENTRE LOOP DYNAMICS AND SERPIN SPECIFICITY
Descriptor:Conserpin-AATRCL
Authors:Marijanovic, E.M., Porebski, B.T., McGowan, S., Buckle, A.M.
Deposit date:2018-08-13
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Reactive centre loop dynamics and serpin specificity.
Sci Rep, 9, 2019
6HEF
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ROOM TEMPERATURE STRUCTURE OF THE (SR)CA2+-ATPASE CA2-E1-CAAMPPCP FORM
Descriptor:Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, CALCIUM ION, ...
Authors:Hjorth-Jensen, S., Sorensen, T.L.M., Oksanen, E., Andersen, J.L., Olesen, C., Moller, J.V., Nissen, P.
Deposit date:2018-08-20
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
6EP9
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CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH N-[2-METHYL-3-[4-METHYL-6-[4-(4-METHYLPIPERAZINE-1-CARBONYL)ANILINO]-5-OXO-PYRAZIN-2-YL]PHENYL]-4-(1-PIPERIDYL)BENZAMIDE
Descriptor:Tyrosine-protein kinase BTK, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Authors:Kuglstatter, A., Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
5WIJ
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JAK2 PSEUDOKINASE IN COMPLEX WITH NU6140
Descriptor:Tyrosine-protein kinase JAK2, 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
Authors:Li, Q., Eck, M.J., Li, K., Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and structural characterization of ATP-site ligands for the wild-type and V617F-mutant JAK2 pseudokinase domain.
ACS Chem. Biol., 2019