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PDB: 109 results

7LNW
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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
7LNU
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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
7LNX
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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:2024-05-22
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
7LNV
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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
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
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:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of pectate lyase A: comparison to other isoforms.
Acta Crystallogr.,Sect.D, 58, 2002
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
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
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
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
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
5T25
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BU of 5t25 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, SODIUM ION
Authors:Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
Deposit date:2016-08-23
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
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
4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
Authors:Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
Deposit date:2015-02-16
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
5KD1
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BU of 5kd1 by Molmil
Sperm whale myoglobin H64A with nitrosoamphetamine
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, B, Guan, Y, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-06-07
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
Nitric Oxide, 67, 2017
2GW5
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BU of 2gw5 by Molmil
Crystal Structure of LIR-2 (ILT4) at 1.8 : differences from LIR-1 (ILT2) in regions implicated in the binding of the Cytomegalovirus class I MHC homolog UL18
Descriptor: ISOPROPYL ALCOHOL, Leukocyte immunoglobulin-like receptor subfamily B member 2 precursor
Authors:Willcox, B.E, Thomas, L.M, Chapman, T.L, Heikema, A.P, West, A.P, Bjorkman, P.J.
Deposit date:2006-05-03
Release date:2006-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of LIR-2 (ILT4) at 1.8 A: differences from LIR-1 (ILT2) in regions implicated in the binding of the Human Cytomegalovirus class I MHC homolog UL18.
Bmc Struct.Biol., 2, 2002
1IEN
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BU of 1ien by Molmil
SOLUTION STRUCTURE OF TIA
Descriptor: PROTEIN TIA
Authors:Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J.
Deposit date:2001-04-10
Release date:2002-04-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
1IEO
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BU of 1ieo by Molmil
SOLUTION STRUCTURE OF MRIB-NH2
Descriptor: PROTEIN MRIB-NH2
Authors:Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J.
Deposit date:2001-04-10
Release date:2002-04-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
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
5J6C
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BU of 5j6c by Molmil
FMN-dependent Nitroreductase (CDR20291_0767) from Clostridium difficile R20291
Descriptor: FLAVIN MONONUCLEOTIDE, IMIDAZOLE, Putative reductase
Authors:Powell, S.M, Wang, B, 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 (2.096 Å)
Cite:Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole.
Nitric Oxide, 60, 2016
1AV3
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BU of 1av3 by Molmil
POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM C. PURPURASCENS, NMR, 20 STRUCTURES
Descriptor: Kappa-conotoxin PVIIA
Authors:Scanlon, M.J, Naranjo, D, Thomas, L, Alewood, P.F, Lewis, R.J, Craik, D.J.
Deposit date:1997-09-24
Release date:1998-10-14
Last modified:2020-12-16
Method:SOLUTION NMR
Cite:Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA.
Structure, 5, 1997
1JXJ
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BU of 1jxj by Molmil
Role of mobile loop in the mechanism of human salivary amylase
Descriptor: Alpha-amylase, salivary, CALCIUM ION, ...
Authors:Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M.
Deposit date:2001-09-07
Release date:2001-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
1Z8L
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Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Davis, M.I, Bennett, M.J, Thomas, L.M, Bjorkman, P.J.
Deposit date:2005-03-30
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase
Proc.Natl.Acad.Sci.USA, 102, 2005

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