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1JTA
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BU of 1jta by Molmil
Crystal Structure of Pectate Lyase A (C2 form)
Descriptor: SULFATE ION, pectate lyase A
Authors:Thomas, L.M, Doan, C.N, Oliver, R.L, Yoder, M.D.
Deposit date:2001-08-20
Release date:2002-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of pectate lyase A: comparison to other isoforms.
Acta Crystallogr.,Sect.D, 58, 2002
1JRG
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BU of 1jrg by Molmil
Crystal Structure of the R3 form of Pectate Lyase A, Erwinia chrysanthemi
Descriptor: Pectate lyase, SULFATE ION
Authors:Thomas, L.M, Doan, C, Oliver, R.L, Yoder, M.D.
Deposit date:2001-08-13
Release date:2002-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of pectate lyase A: comparison to other isoforms.
Acta Crystallogr.,Sect.D, 58, 2002
6NVA
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BU of 6nva by Molmil
Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, SODIUM ION
Authors:Thomas, L.M, Chooback, L.
Deposit date:2019-02-04
Release date:2019-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
To Be Published
4GKV
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BU of 4gkv by Molmil
Structure of Escherichia coli AdhP (ethanol-inducible dehydrogenase) with bound NAD
Descriptor: Alcohol dehydrogenase, propanol-preferring, GLYCEROL, ...
Authors:Sims, P.A, Thomas, L.M, Harper, A.R, Miner, W.A, Ajufo, H.O, Branscrum, K.M, Kao, L.
Deposit date:2012-08-13
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structure of Escherichia coli AdhP (ethanol-inducible dehydrogenase) with bound NAD.
Acta Crystallogr.,Sect.F, 69, 2013
7SUB
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BU of 7sub by Molmil
3-oxoacyl-ACP reductase FabG
Descriptor: 3-oxoacyl-reductase, GLYCEROL
Authors:Thomas, L.M, Karr, E.A, Dinh, D.M.
Deposit date:2021-11-16
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of a putative 3-hydroxypimelyl-CoA dehydrogenase, Hcd1, from Syntrophus aciditrophicus strain SB at 1.78 A resolution
Acta Crystallogr.,Sect.F, 79, 2023
3O2L
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BU of 3o2l by Molmil
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Descriptor: Endo-1,4-beta-xylanase
Authors:Thomas, L.M, Privett, H.K, Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
7LNW
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BU of 7lnw by Molmil
I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase, [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNX
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BU of 7lnx by Molmil
I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate, (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2022-02-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNT
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BU of 7lnt by Molmil
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP
Descriptor: (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNU
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BU of 7lnu by Molmil
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNV
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BU of 7lnv by Molmil
Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus
Descriptor: GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7N9D
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BU of 7n9d by Molmil
I74A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-06-17
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
8U0N
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BU of 8u0n by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP
Descriptor: 2-cyclopentylideneethyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 2024
8U0K
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BU of 8u0k by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 2024
8U0M
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BU of 8u0m by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-2-methylbut-2-en-1-yl monophosphate and ATP
Descriptor: (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 2024
8U0L
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BU of 8u0l by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-But-2-en-1-yl monophosphate and ADP
Descriptor: (2E)-but-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 2024
7JJQ
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BU of 7jjq by Molmil
Human Hemoglobin in Complex with Nitrosoamphetamine
Descriptor: (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ...
Authors:Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2020-07-27
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure.
J.Inorg.Biochem., 213, 2020
4Z0W
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BU of 4z0w by Molmil
Peptaibol gichigamin isolated from Tolypocladium sup_5
Descriptor: PEPTAIBOL GICHIGAMIN
Authors:Du, L, Risinger, A.L, Mitchell, C.A, Stamps, B.W, Pan, N, King, J.B, Motley, J.L, Thomas, L.M, Yang, Z, Stevenson, B.S, Mooberry, S.L, Cichewicz, R.H.
Deposit date:2015-03-26
Release date:2016-03-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Peptaibol gichigamin isolated from Tolypocladium sup_5
TO BE PUBLISHED
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
5ILE
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BU of 5ile by Molmil
H64A sperm whale myoglobin with a Fe-tolyl moiety
Descriptor: Myoglobin, SULFATE ION, [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-03
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5ILP
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BU of 5ilp by Molmil
H64Q sperm whale myoglobin with a Fe-tolyl moiety
Descriptor: GLYCEROL, Myoglobin, SULFATE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5IKS
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BU of 5iks by Molmil
Wild-type sperm whale myoglobin with a Fe-phenyl moiety
Descriptor: GLYCEROL, Myoglobin, SULFATE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-03
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5ILM
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BU of 5ilm by Molmil
H64A sperm whale myoglobin with a Fe-chlorophenyl moiety
Descriptor: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5ILR
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BU of 5ilr by Molmil
H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety
Descriptor: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5J62
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BU of 5j62 by Molmil
FMN-dependent Nitroreductase (CDR20291_0684) from Clostridium difficile R20291
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Wang, B, Powell, S.M, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B.
Deposit date:2016-04-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole.
Nitric Oxide, 60, 2016

 

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