Mine: New entries

6V45
  • Download 6v45
  • View 6v45
Molmil generated image of 6v45
CRYSTAL STRUCTURE OF A PROBABLE CARNITINE OPERON OXIDOREDUCTASE CAIA FROM BRUCELLA MELITENSIS
Descriptor:Probable carnitine operon oxidoreductase caia, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-27
Release date:2019-12-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a Probable carnitine operon oxidoreductase caia from Brucella melitensis
to be published
6V2M
  • Download 6v2m
  • View 6v2m
Molmil generated image of 6v2m
STRUCTURE OF ESCHERICHIA COLI ASP269ASN MUTANT PHOSPHOENOLPYRUVATE CARBOXYKINASE
Descriptor:Phosphoenolpyruvate carboxykinase (ATP), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sokaribo, A.S., Cotelesage, J.H.
Deposit date:2019-11-25
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure of Escherichia coli Asp269Asn mutant phosphoenolpyruvate carboxykinase
To Be Published
6V2L
  • Download 6v2l
  • View 6v2l
Molmil generated image of 6v2l
E. COLI PHOSPHOENOLPYRUVATE CARBOXYKINASE S250A
Descriptor:Phosphoenolpyruvate carboxykinase (ATP), ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION, ...
Authors:Sokaribo, A.S., Goldie, H., Sanders, D.
Deposit date:2019-11-25
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:E. coli phosphoenolpyruvate carboxykinase S250A mutant
To Be Published
6V1Z
  • Download 6v1z
  • View 6v1z
Molmil generated image of 6v1z
GENOME-CONTAINING AAVRH.39 PARTICLES
Descriptor:Capsid protein VP1, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Authors:Mietzsch, M., Agbandje-McKenna, M.
Deposit date:2019-11-21
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8
to be published
6V1T
  • Download 6v1t
  • View 6v1t
Molmil generated image of 6v1t
EMPTY AAVRH.39 PARTICLE
Descriptor:Capsid protein VP1
Authors:Mietzsch, M., Agbandje-McKenna, M.
Deposit date:2019-11-21
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8
to be published
6V1G
  • Download 6v1g
  • View 6v1g
Molmil generated image of 6v1g
GENOME-CONTAINING AAVRH.10
Descriptor:Capsid protein VP1, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Authors:Mietzsch, M., Agbandje-McKenna, M.
Deposit date:2019-11-20
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8
To be Published
6V1D
  • Download 6v1d
  • View 6v1d
Molmil generated image of 6v1d
CRYSTAL STRUCTURE OF HUMAN TREFOIL FACTOR 1
Descriptor:Trefoil factor 1
Authors:Jarva, M.A., Lingford, J.P., John, A., Scott, N.E., Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus
Biorxiv, 2019
6V1C
  • Download 6v1c
  • View 6v1c
Molmil generated image of 6v1c
CRYSTAL STRUCTURE OF HUMAN TREFOIL FACTOR 3 IN COMPLEX WITH ITS COGNATE LIGAND
Descriptor:Trefoil factor 3, N/A4-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-BETA-D-GALACTOPYRANOSE
Authors:Jarva, M.A., Lingford, J.P., John, A., Scott, N.E., Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus
Biorxiv, 2019
6V12
  • Download 6v12
  • View 6v12
Molmil generated image of 6v12
EMPTY AAV8 PARTICLES
Descriptor:Capsid protein
Authors:Mietzsch, M., Agbandje-McKenna, M.
Deposit date:2019-11-19
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8
to be published
6V10
  • Download 6v10
  • View 6v10
Molmil generated image of 6v10
GENOME-CONTAINING AAV8 PARTICLES
Descriptor:Capsid protein, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Authors:Mietzsch, M., Agbandje-McKenna, M.
Deposit date:2019-11-19
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8
to be published
6UWV
  • Download 6uwv
  • View 6uwv
Molmil generated image of 6uwv
BACE-1 IN COMPLEX WITH COMPOUND #34
Descriptor:Beta-secretase 1, (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, GLYCEROL, ...
Authors:Hendle, J., Stout, S.L.
Deposit date:2019-11-05
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 2019
6UWP
  • Download 6uwp
  • View 6uwp
Molmil generated image of 6uwp
BACE-1 IN COMPLEX WITH COMPOUND #32
Descriptor:Beta-secretase 1, (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, GLYCEROL, ...
Authors:Hendle, J., Timm, D.E.
Deposit date:2019-11-05
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 2019
6UVY
  • Download 6uvy
  • View 6uvy
Molmil generated image of 6uvy
BACE-1 IN COMPLEX WITH COMPOUND #18
Descriptor:Beta-secretase 1, (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, GLYCEROL, ...
Authors:Hendle, J., Timm, D.E.
Deposit date:2019-11-04
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 2019
6UVV
  • Download 6uvv
  • View 6uvv
Molmil generated image of 6uvv
BACE-1 IN COMPLEX WITH COMPOUND #17
Descriptor:Beta-secretase 1, (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, GLYCEROL, ...
Authors:Hendle, J., Timm, D.E.
Deposit date:2019-11-04
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 2019
6UVP
  • Download 6uvp
  • View 6uvp
Molmil generated image of 6uvp
BACE-1 IN COMPLEX WITH COMPOUND #3
Descriptor:Beta-secretase 1, N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ...
Authors:Hendle, J., Timm, D.E.
Deposit date:2019-11-04
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 2019
6UTO
  • Download 6uto
  • View 6uto
Molmil generated image of 6uto
NATIVE E. COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE
Descriptor:Glyceraldehyde-3-phosphate dehydrogenase, TREHALOSE, SODIUM ION, ...
Authors:Rodriguez-Hernandez, A., Romo-Arevalo, E., Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTN
  • Download 6utn
  • View 6utn
Molmil generated image of 6utn
NATIVE E. COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE
Descriptor:Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, TREHALOSE, ...
Authors:Rodriguez-Hernandez, A., Romo-Arevalo, E., Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTM
  • Download 6utm
  • View 6utm
Molmil generated image of 6utm
NATIVE E. COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE
Descriptor:Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ...
Authors:Rodriguez-Hernandez, A., Romo-Arevalo, E., Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6USN
  • Download 6usn
  • View 6usn
Molmil generated image of 6usn
CO-CRYSTAL STRUCTURE OF SPR WITH COMPOUND 5
Descriptor:Sepiapterin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Huang, X., Wang, K.
Deposit date:2019-10-28
Release date:2019-12-11
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Virtual screening to identify potent sepiapterin reductase inhibitors.
Bioorg.Med.Chem.Lett., 2019
6UQG
  • Download 6uqg
  • View 6uqg
Molmil generated image of 6uqg
HUMAN HCN1 CHANNEL Y289D MUTANT
Descriptor:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Authors:Lee, C.-H., MacKinnon, R.
Deposit date:2019-10-19
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Voltage sensor movements during hyperpolarization in the HCN channel
Cell(Cambridge,Mass.), 2019
6UQF
  • Download 6uqf
  • View 6uqf
Molmil generated image of 6uqf
HUMAN HCN1 CHANNEL IN A HYPERPOLARIZED CONFORMATION
Descriptor:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MERCURY (II) ION
Authors:Lee, C.-H., MacKinnon, R.
Deposit date:2019-10-19
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Voltage sensor movements during hyperpolarization in the HCN channel
Cell(Cambridge,Mass.), 2019
6UPL
  • Download 6upl
  • View 6upl
Molmil generated image of 6upl
STRUCTURE OF FACT_SUBNUCLEOSOME COMPLEX 2
Descriptor:Histone H3.1, Histone H4, Histone H2A, ...
Authors:Zhou, K., Tan, Y.Z., Wei, H., Liu, Y., Carragher, B., Potter, C., Luger, K.
Deposit date:2019-10-17
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:FACT caught in the act of manipulating the nucleosome.
Nature, 2019
6UPK
  • Download 6upk
  • View 6upk
Molmil generated image of 6upk
STRUCTURE OF FACT_SUBNUCLEOSOME COMPLEX 1
Descriptor:Histone H3.1, Histone H4, Histone H2A, ...
Authors:Zhou, K., Tan, Y.Z., Wei, H., Liu, Y., Carragher, B., Potter, C., Luger, K.
Deposit date:2019-10-17
Release date:2019-12-11
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:FACT caught in the act of manipulating the nucleosome.
Nature, 2019
6UDY
  • Download 6udy
  • View 6udy
Molmil generated image of 6udy
X-RAY CO-CRYSTAL STRUCTURE OF COMPOUND 5 WITH MCL-1
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDX
  • Download 6udx
  • View 6udx
Molmil generated image of 6udx
X-RAY CO-CRYSTAL STRUCTURE OF COMPOUND 7 WITH MCL-1
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019