Mine: New entries

6C2C
  • Download 6c2c
  • View 6c2c
Molmil generated image of 6c2c
THE MOLECULAR BASIS FOR THE FUNCTIONAL EVOLUTION OF AN ORGANOPHOSPHATE HYDROLYSING ENZYME
Descriptor:dihydrocoumarin hydrolase, AncDHCH1, ZINC ION, ...
Authors:Hong, N.-S., Jackson, C.J., Carr, P.D., Tokuriki, N., Baier, F., Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
To Be Published
6C2D
  • Download 6c2d
  • View 6c2d
Molmil generated image of 6c2d
THE CRYSTAL STRUCTURE OF 4-CYCLOHEXYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4
To Be Published
6C2M
  • Download 6c2m
  • View 6c2m
Molmil generated image of 6c2m
CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE VARIANT Y56H IN COMPLEX WITH MK-5172
Descriptor:NS3 protease, ZINC ION, (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, ...
Authors:Matthew, A.N., Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published
6C2N
  • Download 6c2n
  • View 6c2n
Molmil generated image of 6c2n
CRYSTAL STRUCTURE OF HCV NS3/4A DOUBLE MUTANT VARIANT Y56H/D168A IN COMPLEX WITH DANOPREVIR
Descriptor:NS4A COFACTOR-NS3 PROTEIN CHIMERA, ZINC ION, SULFATE ION, ...
Authors:Matthew, A.N., Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published
6C2O
  • Download 6c2o
  • View 6c2o
Molmil generated image of 6c2o
CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE VARIANT Y56H IN COMPLEX WITH DANOPREVIR
Descriptor:NS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, ZINC ION, ...
Authors:Matthew, A.N., Schiffer, C.A.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To be Published
6C30
  • Download 6c30
  • View 6c30
Molmil generated image of 6c30
MYCOBACTERIUM SMEGMATIS RIMJ (APO FORM)
Descriptor:GNAT family acetyltransferase, GLYCEROL, CHLORIDE ION
Authors:Favrot, L., Hegde, S.S., Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6C37
  • Download 6c37
  • View 6c37
Molmil generated image of 6c37
MYCOBACTERIUM SMEGMATIS RIMJ IN COMPLEX WITH COA-DISULFIDE
Descriptor:Acetyltransferase, GNAT family protein, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Favrot, L., Hegde, S.S., Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6C3H
  • Download 6c3h
  • View 6c3h
Molmil generated image of 6c3h
THE CRYSTAL STRUCTURE OF 4-N-HEPTYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-heptylbenzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:The crystal structure of 4-n-heptylbenzoate-bound CYP199A4
To Be Published
6C3J
  • Download 6c3j
  • View 6c3j
Molmil generated image of 6c3j
THE CRYSTAL STRUCTURE OF 4-(THIOPHEN-3-YL)BENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, 4-(thiophen-3-yl)benzoic acid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
To Be Published
6C3L
  • Download 6c3l
  • View 6c3l
Molmil generated image of 6c3l
CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN WITH COMPOUND 15F
Descriptor:B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Authors:Linhares, B., Cheng, H., Cierpicki, T., Xue, F.
Deposit date:2018-01-10
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.460922 Å)
Cite:Crystal structure of BCL6 BTB domain with compound 15f
To Be Published
6C3N
  • Download 6c3n
  • View 6c3n
Molmil generated image of 6c3n
CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN IN COMPLEX WITH COMPOUND 7CC5
Descriptor:B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Authors:Linhares, B., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-01-10
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.531706 Å)
Cite:Crystal structure of BCL6 BTB domain in complex with compound 7CC5
To Be Published
6C44
  • Download 6c44
  • View 6c44
Molmil generated image of 6c44
ZIKA VIRUS CAPSID PROTEIN
Descriptor:Capsid protein
Authors:Morando, M.A., Barbosa, G.M., Cruz-Oliveira, C., Da Poian, A.T., Almeida, F.C.L.
Deposit date:2018-01-11
Release date:2019-01-16
Method:SOLUTION NMR
Cite:Zika virus capsid protein
To be Published
6C45
  • Download 6c45
  • View 6c45
Molmil generated image of 6c45
CRYSTAL STRUCTURE OF HUMAN INORGANIC PYROPHOSPHATASE IN THE P212121 SPACE GROUP
Descriptor:Inorganic pyrophosphatase
Authors:Niu, H., Zhu, J., Huang, X., Du, Z.
Deposit date:2018-01-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Expression, purification and crystallization of the human protein PPA1
To be Published
6C55
  • Download 6c55
  • View 6c55
Molmil generated image of 6c55
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTOSIMERRASE WITH HYDROXYOXAMATE INHIBITOR 3
Descriptor:Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kandale, A., Patel, K.M., Zheng, S., You, L., Guddat, L.W., Schenk, G., Schmbri, M., McGeary, R.P.
Deposit date:2018-01-14
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
To Be Published
6C58
  • Download 6c58
  • View 6c58
Molmil generated image of 6c58
HUMAN UDP-GLUCOSE DEHYDROGENASE A225L SUBSTITUTUION WITH UDP-XYLOSE BOUND
Descriptor:UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE, CHLORIDE ION
Authors:Gross, P.G., Fallah, J., Wood, Z.A.
Deposit date:2018-01-15
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:The A225L Substitution of hUGDH alters structure and function
To Be Published
6C5A
  • Download 6c5a
  • View 6c5a
Molmil generated image of 6c5a
HUMAN UDP-GLUCOSE DEHYDROGENASE WITH UDP- GLC AND NADH BOUND
Descriptor:UDP-glucose 6-dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:Gross, P.G., Fallah, J., Wood, Z.A.
Deposit date:2018-01-15
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The A225L Substitution of hUGDH alters structure and function
To Be Published
6C6N
  • Download 6c6n
  • View 6c6n
Molmil generated image of 6c6n
HUMAN SQUALENE EPOXIDASE (SQLE, SQUALENE MONOOXYGENASE) STRUCTURE WITH FAD AND CMPD-4"
Descriptor:Squalene monooxygenase, GLYCEROL, SULFATE ION, ...
Authors:Padyana, A.K., Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase
Nat Commun, 2019
6C6P
  • Download 6c6p
  • View 6c6p
Molmil generated image of 6c6p
HUMAN SQUALENE EPOXIDASE (SQLE, SQUALENE MONOOXYGENASE) STRUCTURE WITH FAD AND NB-598
Descriptor:Squalene monooxygenase, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, ...
Authors:Padyana, A.K., Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 2019
6C6R
  • Download 6c6r
  • View 6c6r
Molmil generated image of 6c6r
HUMAN SQUALENE EPOXIDASE (SQLE, SQUALENE MONOOXYGENASE) STRUCTURE WITH FAD
Descriptor:Squalene monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Padyana, A.K., Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 2019
6CD5
  • Download 6cd5
  • View 6cd5
Molmil generated image of 6cd5
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR XMD17-26
Descriptor:Bromodomain-containing protein 4, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ...
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CGC
  • Download 6cgc
  • View 6cgc
Molmil generated image of 6cgc
CRYSTAL STRUCTURE OF HUMAN 17BETA-HSD TYPE 1 IN TERNARY COMPLEX WITH 2-MEO-CC-156 AND NADP+
Descriptor:Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Authors:Li, T., Lin, S.X.
Deposit date:2018-02-19
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.
J Phys Chem Lett, 9, 2018
6CGE
  • Download 6cge
  • View 6cge
Molmil generated image of 6cge
CRYSTAL STRUCTURE OF HUMAN 17BETA-HSD TYPE 1 IN TERNARY COMPLEX WITH PBRM AND NADP+
Descriptor:Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Authors:Li, T., Lin, S.X.
Deposit date:2018-02-20
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.
J Phys Chem Lett, 9, 2018
6CH5
  • Download 6ch5
  • View 6ch5
Molmil generated image of 6ch5
DEHALOPEROXIDASE B IN COMPLEX WITH SUBSTRATE 4-NITROGUAIACOL
Descriptor:Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:de Serrano, V.S., Carey, L.M., Ghiladi, R.A.
Deposit date:2018-02-21
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6CH6
  • Download 6ch6
  • View 6ch6
Molmil generated image of 6ch6
DEHALOPEROXIDASE B IN COMPLEX WITH SUBSTRATE 2,4-DIMETHOXYPHENOL
Descriptor:Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:de Serrano, V.S., Carey, L.M., Ghiladi, R.A.
Deposit date:2018-02-22
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6CUG
  • Download 6cug
  • View 6cug
Molmil generated image of 6cug
CRYSTAL STRUCTURE OF BC8B TCR-CD1B-PC COMPLEX
Descriptor:T-cell surface glycoprotein CD1b, Beta-2-microglobulin, T-cell receptor alpha variable TRAV9-2 - BC8B TCR, ...
Authors:Shahine, A.E., Rossjohn, J.
Deposit date:2018-03-26
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan