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2BF3
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BU of 2bf3 by Molmil
Crystal structure of a toluene 4-monooxygenase catalytic effector protein variant missing ten N-terminal residues (delta-N10 T4moD)
Descriptor: HEPTANE-1,2,3-TRIOL, TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D
Authors:Lountos, G.T, Mitchell, K.H, Studts, J.M, Fox, B.G, Orville, A.M.
Deposit date:2004-12-03
Release date:2005-05-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures and Functional Studies of T4Mod, the Toluene 4-Monooxygenase Catalytic Effector Protein
Biochemistry, 44, 2005
2BF5
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BU of 2bf5 by Molmil
Crystal structure of a toluene 4-monooxygenase catalytic effector protein variant missing four N-terminal residues (delta-N4 T4moD)
Descriptor: TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D
Authors:Lountos, G.T, Mitchell, K.H, Studts, J.M, Fox, B.G, Orville, A.M.
Deposit date:2004-12-03
Release date:2005-05-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Structures and Functional Studies of T4Mod, the Toluene 4-Monooxygenase Catalytic Effector Protein
Biochemistry, 44, 2005
1VBD
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BU of 1vbd by Molmil
POLIOVIRUS (TYPE 1, MAHONEY STRAIN) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJR
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BU of 5djr by Molmil
Crystal structure of human FPPS in complex with biaryl compound 6
Descriptor: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
Descriptor: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
Descriptor: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
8RFM
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BU of 8rfm by Molmil
Human NOQ1 enzyme in complex with NADH by serial crystallography
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
Deposit date:2023-12-13
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
7RKH
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BU of 7rkh by Molmil
Yeast CTP Synthase (URA8) tetramer bound to ATP/UTP at neutral pH
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ...
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-22
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RMV
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BU of 7rmv by Molmil
Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-28
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RMK
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BU of 7rmk by Molmil
Yeast CTP Synthase (Ura7) Bundle bound to substrates at low pH
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-27
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RNR
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BU of 7rnr by Molmil
Yeast CTP Synthase (Ura8) Bundle Bound to Substrates at Low pH
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ...
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-29
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RMF
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BU of 7rmf by Molmil
Substrate-bound Ura7 filament at low pH
Descriptor: CTP synthase
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-27
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RMC
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BU of 7rmc by Molmil
Yeast CTP Synthase (Ura7) filament bound to CTP at low pH
Descriptor: CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-27
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RL5
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BU of 7rl5 by Molmil
Yeast CTP Synthase (URA8) filament bound to CTP at low pH
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-23
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RMO
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BU of 7rmo by Molmil
Yeast CTP Synthase (Ura7) Bundle bound to Products at low pH
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-27
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RL0
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BU of 7rl0 by Molmil
Yeast CTP Synthase (URA8) Filament bound to ATP/UTP at low pH
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ...
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-22
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
7RNL
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BU of 7rnl by Molmil
Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M.
Deposit date:2021-07-29
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
8RFN
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BU of 8rfn by Molmil
Human NOQ1 enzyme in its holo form by serial crystallography
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
Deposit date:2023-12-13
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
4IBG
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BU of 4ibg by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBD
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BU of 4ibd by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBJ
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BU of 4ibj by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014

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