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7O7C
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BU of 7o7c by Molmil
Crystal structure of rsEGFP2 mutant V151A in the non-fluorescent off-state determined by synchrotron radiation at 100K
Descriptor: Green fluorescent protein, SULFATE ION
Authors:Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.-P, Weik, M.
Deposit date:2021-04-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
8ZHI
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BU of 8zhi by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (6.05 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHJ
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BU of 8zhj by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C1 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (8.45 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHK
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BU of 8zhk by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
7NY9
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BU of 7ny9 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 38
Descriptor: 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
8ZHL
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BU of 8zhl by Molmil
SARS-CoV-2 spike trimer (6P) in complex with two H18 and two R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHM
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BU of 8zhm by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHN
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BU of 8zhn by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs (one RBD rotated)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
7OA9
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BU of 7oa9 by Molmil
Crystal structure of Human Menin in complex with Fragment 21
Descriptor: (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Groves, M.R, Gao, K.
Deposit date:2021-04-19
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of Human Menin in complex with Fragment 21
To Be Published
7OAS
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BU of 7oas by Molmil
Structural basis for targeted p97 remodeling by ASPL as prerequisite for p97 trimethylation by METTL21D
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-L-methionine-dependent methyltransferases superfamily protein
Authors:Petrovic, S, Heinemann, U, Roske, Y.
Deposit date:2021-04-20
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7NXO
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BU of 7nxo by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 24(5-F)
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7OAT
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BU of 7oat by Molmil
Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Petrovic, S, Heinemann, U, Roske, Y.
Deposit date:2021-04-20
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7NWA
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BU of 7nwa by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
Descriptor: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWB
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BU of 7nwb by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 1
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NYA
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BU of 7nya by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36)
Descriptor: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWM
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BU of 7nwm by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 12
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
6AZP
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BU of 6azp by Molmil
A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ramyar, K.X, Geisbrecht, B.V.
Deposit date:2017-09-11
Release date:2017-12-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
J. Biol. Chem., 293, 2018
7NWC
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BU of 7nwc by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2
Descriptor: 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NXN
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BU of 7nxn by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)
Descriptor: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
6P2D
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BU of 6p2d by Molmil
Structure of mouse ketohexokinase-C in complex with fructose and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, NITRATE ION, ...
Authors:Gasper, W.C, Allen, K.N, Tolan, D.R.
Deposit date:2019-05-21
Release date:2020-06-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Michaelis-like complex of mouse ketohexokinase isoform C
ACTA CRYSTALLOGR.,SECT.D, 2024
7NY2
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BU of 7ny2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 35
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7O6U
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BU of 7o6u by Molmil
Crystal structure of the VIN3 VEL polymerising domain (R554A R556D mutant)
Descriptor: Protein VERNALIZATION INSENSITIVE 3
Authors:Fiedler, M, Franco-Echevarria, E, Dean, C, Bienz, M.
Deposit date:2021-04-12
Release date:2022-11-09
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Head-to-tail polymerization by VEL proteins underpins cold-induced Polycomb silencing in flowering control.
Cell Rep, 41, 2022
7O6T
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BU of 7o6t by Molmil
Crystal structure of the polymerising VEL domain of VIN3 (R556D I575D mutant)
Descriptor: MAGNESIUM ION, Protein VERNALIZATION INSENSITIVE 3
Authors:Fiedler, M, Franco-Echevarria, E, Dean, C, Bienz, M.
Deposit date:2021-04-12
Release date:2022-11-09
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Head-to-tail polymerization by VEL proteins underpins cold-induced Polycomb silencing in flowering control.
Cell Rep, 41, 2022
7O4D
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BU of 7o4d by Molmil
QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline
Descriptor: 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K.
Deposit date:2021-04-06
Release date:2022-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice.
J.Clin.Invest., 133, 2023
7O6V
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BU of 7o6v by Molmil
Crystal structure of the VEL1 VEL polymerising domain (R643A K645D I664D mutant)
Descriptor: VIN3-like protein 2
Authors:Fiedler, M, Franco-Echevarria, E, Dean, C, Bienz, M.
Deposit date:2021-04-12
Release date:2022-11-09
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Head-to-tail polymerization by VEL proteins underpins cold-induced Polycomb silencing in flowering control.
Cell Rep, 41, 2022

224004

數據於2024-08-21公開中

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