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5V1Q
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BU of 5v1q by Molmil
Crystal structure of Streptococcus suis SuiB
Descriptor: IRON/SULFUR CLUSTER, Radical SAM
Authors:Davis, K.M, Bacik, J.P, Ando, N.
Deposit date:2017-03-02
Release date:2017-08-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1S
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BU of 5v1s by Molmil
Crystal structure of Streptococcus suis SuiB bound to S-adenosylmethionine
Descriptor: IRON/SULFUR CLUSTER, Radical SAM, S-ADENOSYLMETHIONINE
Authors:Davis, K.M, Bacik, J.P, Ando, N.
Deposit date:2017-03-02
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1T
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BU of 5v1t by Molmil
Crystal structure of Streptococcus suis SuiB bound to precursor peptide SuiA
Descriptor: IRON/SULFUR CLUSTER, METHIONINE, Radical SAM, ...
Authors:Davis, K.M, Bacik, J.P, Ando, N.
Deposit date:2017-03-02
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2JK1
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BU of 2jk1 by Molmil
Crystal structure of the wild-type HupR receiver domain
Descriptor: HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION
Authors:Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N.
Deposit date:2008-05-26
Release date:2008-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
4B2Q
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BU of 4b2q by Molmil
Model of the yeast F1Fo-ATP synthase dimer based on subtomogram average
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ...
Authors:Davies, K.M, Kuehlbrandt, W.
Deposit date:2012-07-17
Release date:2012-08-29
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (37 Å)
Cite:Structure of the Yeast F1Fo-ATP Synthase Dimer and its Role in Shaping the Mitochondrial Cristae.
Proc.Natl.Acad.Sci.USA, 109, 2012
6EDH
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BU of 6edh by Molmil
Taurine:2OG dioxygenase (TauD) bound to the vanadyl ion, taurine, and succinate
Descriptor: 2-AMINOETHANESULFONIC ACID, ACETATE ION, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
Authors:Davis, K.M, Altmyer, M, Boal, A.K.
Deposit date:2018-08-09
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73000407 Å)
Cite:Structure of a Ferryl Mimic in the Archetypal Iron(II)- and 2-(Oxo)-glutarate-Dependent Dioxygenase, TauD.
Biochemistry, 58, 2019
2VUI
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BU of 2vui by Molmil
Crystal structure of the HupR receiver domain in inhibitory phospho- state
Descriptor: BERYLLIUM TRIFLUORIDE ION, HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION
Authors:Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N.
Deposit date:2008-05-26
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
2VUH
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BU of 2vuh by Molmil
Crystal structure of the D55E mutant of the HupR receiver domain
Descriptor: HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1
Authors:Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N.
Deposit date:2008-05-26
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-19
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
7LKC
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BU of 7lkc by Molmil
Crystal Structure of Keratinimicin A
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-02
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
6VP4
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BU of 6vp4 by Molmil
Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG
Descriptor: 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ...
Authors:Davis, K.M, Copeland, R.A, Boal, A.K.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021
6VP5
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BU of 6vp5 by Molmil
Ethylene forming enzyme (EFE) D191E variant in complex with Fe(II), L-arginine, and 2OG
Descriptor: 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ...
Authors:Davis, K.M, Copeland, R.A, Boal, A.K.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Dratch, B.D, Davis, K.M.
Deposit date:2023-05-02
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
8F91
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BU of 8f91 by Molmil
OxyB, a cytochrome P450 involved in keratinimicin biosynthesis
Descriptor: OxyB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2022-11-22
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated by the Structure and Selectivity of OxyB.
Acs Chem.Biol., 18, 2023
8FBX
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BU of 8fbx by Molmil
Selenosugar synthase SenB from Variovorax paradoxus
Descriptor: CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2022-11-30
Release date:2023-11-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis.
Biochemistry, 62, 2023
8G8V
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BU of 8g8v by Molmil
GTP Cyclohydrolase-IB with sodium
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ...
Authors:McWhorter, K.L, Jhunjhunwala, R, Davis, K.M.
Deposit date:2023-02-20
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
Authors:McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
Deposit date:2023-02-14
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
7T6C
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BU of 7t6c by Molmil
E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP
Descriptor: 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ...
Authors:Horwitz, S.M, Ambarian, J.A, Davis, K.M.
Deposit date:2021-12-13
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T5K
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BU of 7t5k by Molmil
E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
Authors:Horwitz, S.M, Ambarian, J.A, Davis, K.M.
Deposit date:2021-12-12
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T5Y
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BU of 7t5y by Molmil
E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ
Descriptor: 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
Authors:Horwitz, S.M, Ambarian, J.A, Davis, K.M.
Deposit date:2021-12-13
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T6H
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BU of 7t6h by Molmil
E. coli dihydroorotate dehydrogenase
Descriptor: Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, OROTIC ACID
Authors:Horwitz, S.M, Ambarian, J.A, Davis, K.M.
Deposit date:2021-12-13
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
6NBQ
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BU of 6nbq by Molmil
T.elongatus NDH (data-set 1)
Descriptor: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 2, ...
Authors:Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
Deposit date:2018-12-09
Release date:2019-02-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
6NBY
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BU of 6nby by Molmil
T.elongatus NDH (composite model)
Descriptor: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ...
Authors:Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
Deposit date:2018-12-10
Release date:2019-02-27
Last modified:2020-04-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
6NBX
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BU of 6nbx by Molmil
T.elongatus NDH (data-set 2)
Descriptor: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ...
Authors:Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
Deposit date:2018-12-10
Release date:2019-02-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019

 

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