2BF3
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![BU of 2bf3 by Molmil](/molmil-images/mine/2bf3) | 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
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2BF5
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![BU of 2bf5 by Molmil](/molmil-images/mine/2bf5) | 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
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1VBD
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![BU of 1vbd by Molmil](/molmil-images/mine/1vbd) | 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
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5DJV
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![BU of 5djv by Molmil](/molmil-images/mine/5djv) | |
5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | 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
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5DGM
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![BU of 5dgm by Molmil](/molmil-images/mine/5dgm) | |
5DIQ
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![BU of 5diq by Molmil](/molmil-images/mine/5diq) | 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
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5DJP
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![BU of 5djp by Molmil](/molmil-images/mine/5djp) | |
5DGS
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![BU of 5dgs by Molmil](/molmil-images/mine/5dgs) | |
8RFM
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![BU of 8rfm by Molmil](/molmil-images/mine/8rfm) | 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
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7RKH
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![BU of 7rkh by Molmil](/molmil-images/mine/7rkh) | 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
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7RMV
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![BU of 7rmv by Molmil](/molmil-images/mine/7rmv) | 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
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7RMK
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![BU of 7rmk by Molmil](/molmil-images/mine/7rmk) | 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
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7RNR
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![BU of 7rnr by Molmil](/molmil-images/mine/7rnr) | 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
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7RMF
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![BU of 7rmf by Molmil](/molmil-images/mine/7rmf) | 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
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7RMC
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![BU of 7rmc by Molmil](/molmil-images/mine/7rmc) | 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
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7RL5
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![BU of 7rl5 by Molmil](/molmil-images/mine/7rl5) | 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
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7RMO
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![BU of 7rmo by Molmil](/molmil-images/mine/7rmo) | 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
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7RL0
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![BU of 7rl0 by Molmil](/molmil-images/mine/7rl0) | 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
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7RNL
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![BU of 7rnl by Molmil](/molmil-images/mine/7rnl) | 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
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8RFN
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![BU of 8rfn by Molmil](/molmil-images/mine/8rfn) | 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
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4IBG
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![BU of 4ibg by Molmil](/molmil-images/mine/4ibg) | 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
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4IBB
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![BU of 4ibb by Molmil](/molmil-images/mine/4ibb) | 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
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4IBD
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![BU of 4ibd by Molmil](/molmil-images/mine/4ibd) | 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
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4IBJ
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![BU of 4ibj by Molmil](/molmil-images/mine/4ibj) | 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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