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PDB: 568 results

4HGJ
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BU of 4hgj by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGI
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BU of 4hgi by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4BVS
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BU of 4bvs by Molmil
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.
Descriptor: 1,3,5-triazine-2,4,6-triamine, CYANURIC ACID AMIDOHYDROLASE, MAGNESIUM ION
Authors:Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C.
Deposit date:2013-06-28
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
4BVT
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BU of 4bvt by Molmil
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation
Descriptor: BARBITURIC ACID, CYANURIC ACID AMIDOHYDROLASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C.
Deposit date:2013-06-28
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
4DWM
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BU of 4dwm by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein with N-acetylglucosamine at 1.62 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase
Authors:Yamini, S, Pandey, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-02-25
Release date:2012-03-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the complex of type I Ribosome inactivating protein with N-acetylglucosamine at 1.62 A resolution
To be Published
5CCN
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BU of 5ccn by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
5CCS
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BU of 5ccs by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
5CBV
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BU of 5cbv by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
5CBW
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BU of 5cbw by Molmil
Human Cyclophilin D Complexed with Inhibitor.
Descriptor: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor.
To Be Published
5CCQ
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BU of 5ccq by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
8E7F
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BU of 8e7f by Molmil
Crystal structure of the autotransporter Ssp from Serratia marcescens.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Extracellular serine protease, ...
Authors:Hor, L, Pilapitiya, A, Panjikar, S, Paxman, J.J, Heras, B.
Deposit date:2022-08-23
Release date:2023-03-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a subtilisin-like autotransporter passenger domain reveals insights into its cytotoxic function.
Nat Commun, 14, 2023
1O1H
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BU of 1o1h by Molmil
STRUCTURE OF GLUCOSE ISOMERASE DERIVATIZED WITH KR.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Nowak, E, Panjikar, S, Tucker, P.A.
Deposit date:2002-11-07
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Glucose Isomerase Derivatized with Kr.
To be Published
4ZT8
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BU of 4zt8 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-14
Release date:2015-06-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
7SHW
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BU of 7shw by Molmil
Crystal structure of Mycobacterium smegmatis LmcA with xenon
Descriptor: GLYCEROL, LmcA, XENON
Authors:Patel, O, Lucet, I, Panjikar, S.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis.
Acta Crystallogr D Struct Biol, 78, 2022
5KOZ
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BU of 5koz by Molmil
Structure function studies of R. palustris RubisCO (K192C mutant; CABP-bound)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Arbing, M.A, North, J.A, Satagopan, S, Tabita, F.R.
Deposit date:2016-07-01
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function studies of R. palustris RubisCO.
To Be Published
7T34
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BU of 7t34 by Molmil
Crystal structure of AtDHDPR1 from Arabidopsis thaliana
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase 1, chloroplastic
Authors:Mackie, E.R.R, Panjikar, S, Soares da Costa, T.P.
Deposit date:2021-12-06
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:From bacteria to plants: a repurposing strategy in the pursuit for novel herbicides
To be published
5E5Y
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BU of 5e5y by Molmil
Quasi-racemic snakin-1 in P1 before radiation damage
Descriptor: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
Authors:Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
Deposit date:2015-10-09
Release date:2016-05-18
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
7BES
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BU of 7bes by Molmil
CryoEM structure of Mycobacterium tuberculosis UMP Kinase (UMPK) in complex with UDP and UTP
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Bous, J, Trapani, S, Walter, P, Bron, P, Munier-Lehmann, H.
Deposit date:2020-12-24
Release date:2022-01-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
4ZU0
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BU of 4zu0 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine monophosphate at 1.80 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-15
Release date:2015-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
6AL9
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BU of 6al9 by Molmil
Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate
Descriptor: Chorismate mutase, P-HYDROXYBENZOIC ACID, PREPHENIC ACID, ...
Authors:Fan, Y, Jameson, G.B, Panjikar, S, Parker, E.J.
Deposit date:2017-08-07
Release date:2018-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate
To Be Published
4PFM
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BU of 4pfm by Molmil
SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ...
Authors:Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A.
Deposit date:2014-04-30
Release date:2015-05-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
7C74
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BU of 7c74 by Molmil
Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in CaCl2 at 2.73 A resolution
Descriptor: CALCIUM ION, CHLORIDE ION, Lactoperoxidase, ...
Authors:Singh, P.K, Viswanathan, V, Pandey, S.N, Ahmad, N, Rani, C, Sharma, P, Sharma, P, Singh, T.P.
Deposit date:2020-05-22
Release date:2020-06-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
4GUV
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BU of 4guv by Molmil
TetX derivatized with Xenon
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein, ...
Authors:Volkers, G, Palm, G.J, Panjikar, S, Hinrichs, W.
Deposit date:2012-08-29
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX.
Acta Crystallogr.,Sect.D, 69, 2013
7TVI
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BU of 7tvi by Molmil
Alpha1/BetaB Heteromeric Glycine Receptor in Glycine-Bound State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor beta subunit 2, ...
Authors:Gibbs, E, Chakrapani, S, Kumar, A.
Deposit date:2022-02-04
Release date:2023-03-22
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
4ZZ6
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BU of 4zz6 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine triphosphate at 2.0A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015

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