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8QDO
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BU of 8qdo by Molmil
Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus
Descriptor: Protein pp71, TETRAETHYLENE GLYCOL
Authors:Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S.
Deposit date:2023-08-30
Release date:2024-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus.
Protein Sci., 33, 2024
6GIB
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BU of 6gib by Molmil
Crystal structure of glutathione transferase Omega 2S from Trametes versicolor
Descriptor: Glutathione S-transferase omega-2, MAGNESIUM ION
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2018-05-10
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Fungal glutathione transferases as tools to explore the chemical diversity of Amazonian wood extractives
ACS Sust Chem Eng, 2018
7LSQ
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BU of 7lsq by Molmil
The Crystal Structure of Q108K:K40E:T53A:R58W:Q38F:Q4F:Y19W Mutant of HCRBPII Bound with LizFluor Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-02-18
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.67130542 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
6GIC
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BU of 6gic by Molmil
Crystal structure of glutathione transferase Omega 2S from Trametes versicolor in complex with oxyresveratrol
Descriptor: Glutathione transferase Omega 2S, MAGNESIUM ION, cis-oxyresveratrol, ...
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2018-05-10
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Fungal glutathione transferases as tools to explore the chemical diversity of Amazonian wood extractives
ACS Sust Chem Eng, 2018
7MFZ
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BU of 7mfz by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7MFX
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BU of 7mfx by Molmil
The Crystal Structure of Q108K:K40H:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with FR1 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7MFY
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BU of 7mfy by Molmil
The Crystal Structure of Q108K:K40L:T51V:T53S:R58W:Y19W:A33W:L117E Mutant of HCRBPII Bound with LizFluor
Descriptor: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
6MCU
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BU of 6mcu by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.572 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
7LVI
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BU of 7lvi by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Descriptor: (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
7LVH
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BU of 7lvh by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE
Descriptor: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
6MCV
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BU of 6mcv by Molmil
Crystal Structure of Holo Retinal-Bound Domain-Swapped Dimer of Wild Type Human Cellular Retinol Binding Protein II
Descriptor: RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6MLB
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BU of 6mlb by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F mutant of human cellular retinol binding protein II
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-27
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6MKV
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BU of 6mkv by Molmil
Crystal structure of Retinal-bound holo Q108K:K40L:T51W domain-swapped dimer of human cellular retinol binding protein 2
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-26
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
5ZJP
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BU of 5zjp by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
Authors:Manjunath, L, Guntupalli, S.R.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ENK
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BU of 5enk by Molmil
Compound 18
Descriptor: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ETM
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BU of 5etm by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETN
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BU of 5etn by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETK
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BU of 5etk by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETO
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BU of 5eto by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETL
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BU of 5etl by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution
Descriptor: 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETV
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BU of 5etv by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.72 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETS
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BU of 5ets by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.95 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETT
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BU of 5ett by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETQ
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S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016

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