Author results

9INS
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MONOVALENT CATION BINDING IN CUBIC INSULIN CRYSTALS
Descriptor:INSULIN (CHAIN A), INSULIN (CHAIN B)
Authors:Badger, J., Dodson, G.G.
Deposit date:1991-10-23
Release date:1991-11-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monovalent cation binding to cubic insulin crystals
Biophys.J., 61, 1992
6RJ6
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CRYSTAL STRUCTURE OF PHGDH IN COMPLEX WITH BI-4924
Descriptor:D-3-phosphoglycerate dehydrogenase, 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
Authors:Bader, G., Wolkerstorfer, B., Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ5
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CRYSTAL STRUCTURE OF PHGDH IN COMPLEX WITH COMPOUND 39
Descriptor:D-3-phosphoglycerate dehydrogenase, SULFATE ION, 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G., Wolkerstorfer, B., Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ3
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CRYSTAL STRUCTURE OF PHGDH IN COMPLEX WITH COMPOUND 15
Descriptor:D-3-phosphoglycerate dehydrogenase, SULFATE ION, 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
Authors:Bader, G., Wolkerstorfer, B., Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ2
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CRYSTAL STRUCTURE OF PHGDH IN COMPLEX WITH COMPOUND 40
Descriptor:D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G., Wolkerstorfer, B., Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RIH
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CRYSTAL STRUCTURE OF PHGDH IN COMPLEX WITH COMPOUND 9
Descriptor:D-3-phosphoglycerate dehydrogenase, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide, SULFATE ION
Authors:Bader, G., Wolkerstorfer, B., Zoephel, A.
Deposit date:2019-04-24
Release date:2019-08-07
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6PDM
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CRYSTAL STRUCTURE OF HUMAN PROTEIN ARGININE METHYLTRANSFERASE 9 (PRMT9)
Descriptor:Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
Authors:Halabelian, L., Tempel, W., Zeng, H., Li, Y., Seitova, A., Hutchinson, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-06-19
Release date:2019-07-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
6P7I
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CRYSTAL STRUCTURE OF HUMAN PRMT6 IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE AND YS17-117 COMPOUND
Descriptor:Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, ...
Authors:Halabelian, L., Dong, A., Zeng, H., Li, Y., Seitova, A., Hutchinson, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2019-06-05
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Comp ound
to be published
6P0Q
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CRYSTAL STRUCTURE OF UBIQUITIN-LIKE DOMAIN OF HUMAN WDR12
Descriptor:Ribosome biogenesis protein WDR12, 1,2-ETHANEDIOL
Authors:Halabelian, L., Dong, A., Zeng, H., Li, Y., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
6OVC
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HMCL1 INHIBITOR COMPLEX
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Authors:Poppe, L.
Deposit date:2019-05-07
Release date:2019-05-22
Method:SOLUTION NMR
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQN
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CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 7
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQD
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CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 8
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQB
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 10
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OOV
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CRYSTAL STRUCTURE OF HMCES SRAP DOMAIN IN COMPLEX WITH PALINDROMIC 3' OVERHANG DNA
Descriptor:Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), UNKNOWN ATOM OR ION
Authors:Halabelian, L., Zeng, H., Li, Y., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-04-23
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
To Be Published
6OGN
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CRYSTAL STRUCTURE OF MOUSE PROTEIN ARGININE METHYLTRANSFERASE 7 IN COMPLEX WITH SGC8158 CHEMICAL PROBE
Descriptor:Protein arginine N-methyltransferase 7, ZINC ION, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, ...
Authors:Halabelian, L., Dong, A., Zeng, H., Li, Y., Hutchinson, A., Seitova, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-04-03
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
To be Published
6OEB
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CRYSTAL STRUCTURE OF HMCES SRAP DOMAIN IN COMPLEX WITH 3' OVERHANG DNA
Descriptor:Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
Authors:Halabelian, L., Ravichandran, M., Li, Y., Zeng, H., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-03-27
Release date:2019-04-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6OEA
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CRYSTAL STRUCTURE OF HMCES SRAP DOMAIN IN COMPLEX WITH LONGER 3' OVERHANG DNA
Descriptor:Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
Authors:Halabelian, L., Ravichandran, M., Li, Y., Zeng, H., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-03-27
Release date:2019-04-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6OE7
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CRYSTAL STRUCTURE OF HMCES CROSS-LINKED TO DNA ABASIC SITE
Descriptor:Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), ...
Authors:Halabelian, L., Li, Y., Zeng, H., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-03-27
Release date:2019-04-24
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6O6G
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
Authors:Huang, X.
Deposit date:2019-03-06
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6F
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
Authors:Huang, X.
Deposit date:2019-03-06
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O59
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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF THE A SUBUNIT OF THE BACILLUS MEGATERIUM SPORE GERMINANT RECEPTOR GERK3
Descriptor:Germination protein
Authors:Li, Y., Hao, B.
Deposit date:2019-03-01
Release date:2019-05-22
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and functional analyses of the N-terminal domain of the A subunit of aBacillus megateriumspore germinant receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NPZ
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CRYSTAL STRUCTURE OF AKT1 (AA 123-480) KINASE WITH A BISUBSTRATE
Descriptor:RAC-alpha serine/threonine-protein kinase, bisubstrate, MANGANESE (II) ION, ...
Authors:Chu, N., Cole, P.A., Gabelli, S.B.
Deposit date:2019-01-18
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6NBS
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WT ERK2 WITH COMPOUND 2507-8
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, GLYCEROL, ...
Authors:Sammons, R.M., Perry, N.A., Cho, E.J., Kaoud, T.S., Zamora-Olivares, D.P., Piserchio, A., Houghten, R.A., Giulianotti, M., Li, Y., Debevec, G., Gurevich, V.V., Ghose, R., Iverson, T.M., Dalby, K.N.
Deposit date:2018-12-10
Release date:2019-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:WT ERK2 with compound 2507-8
To Be Published
6N31
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WD REPEATS OF HUMAN WDR12
Descriptor:Ribosome biogenesis protein WDR12, UNKNOWN ATOM OR ION
Authors:Halabelian, L., Zeng, H., Tempel, W., Li, Y., Seitova, A., Hutchinson, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2018-11-14
Release date:2018-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:WD repeats of human WDR12
To Be Published
6N1I
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CRYO-EM STRUCTURE OF NLRC4-CARD FILAMENT
Descriptor:NLR family CARD domain-containing protein 4
Authors:Li, Y., Fu, T., Wu, H.
Deposit date:2018-11-08
Release date:2018-12-05
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of ASC and NLRC4 CARD filaments reveal a unified mechanism of nucleation and activation of caspase-1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018