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1XKD
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BU of 1xkd by Molmil
Ternary complex of Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix
Descriptor: CALCIUM ION, ISOCITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N.-K, Ladenstein, R.
Deposit date:2004-09-28
Release date:2005-10-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability.
J.Mol.Biol., 345, 2005
1XMZ
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BU of 1xmz by Molmil
Crystal structure of the dark state of kindling fluorescent protein kfp from anemonia sulcata
Descriptor: BETA-MERCAPTOETHANOL, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
Authors:Quillin, M.L, Anstrom, D.M, Shu, X, O'Leary, S, Kallio, K, Chudakov, D.M, Remington, S.J.
Deposit date:2004-10-04
Release date:2005-04-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kindling Fluorescent Protein from Anemonia sulcata: Dark-State Structure at 1.38 Resolution
Biochemistry, 44, 2005
1XSE
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BU of 1xse by Molmil
Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1
Descriptor: 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S.
Deposit date:2004-10-19
Release date:2004-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions
J.Biol.Chem., 280, 2005
1USK
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BU of 1usk by Molmil
L-leucine-binding protein with leucine bound
Descriptor: LEUCINE, LEUCINE-SPECIFIC BINDING PROTEIN
Authors:Magnusson, U, Salopek-Sondi, B, Luck, L.A, Mowbray, S.L.
Deposit date:2003-11-25
Release date:2003-12-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structures of the Leucine-Binding Protein Illustrate Conformational Changes and the Basis of Ligand Specificity
J.Biol.Chem., 279, 2004
1USG
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BU of 1usg by Molmil
L-leucine-binding protein, apo form
Descriptor: LEUCINE-SPECIFIC BINDING PROTEIN
Authors:Magnusson, U, Salopek-Sondi, B, Luck, L.A, Mowbray, S.L.
Deposit date:2003-11-24
Release date:2003-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:X-Ray Structures of the Leucine-Binding Protein Illustrate Conformational Changes and the Basis of Ligand Specificity
J.Biol.Chem., 279, 2004
1UWA
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BU of 1uwa by Molmil
L290F mutant rubisco from chlamydomonas
Descriptor: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Karkehabadi, S, Taylor, T.C, Spreitzer, R.J, Andersson, I.
Deposit date:2004-02-03
Release date:2005-01-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Altered Intersubunit Interactions in Crystal Structures of Catalytically Compromised Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase
Biochemistry, 44, 2005
1UOG
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BU of 1uog by Molmil
Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHETASE, DEACETOXYCEPHALOSPORIN-C, FE (II) ION
Authors:Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-17
Release date:2004-01-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
1UNB
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BU of 1unb by Molmil
Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin
Descriptor: (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, ...
Authors:Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-09
Release date:2004-01-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
1UT4
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BU of 1ut4 by Molmil
Structure of the conserved domain of ANAC, a member of the NAC family of transcription factors
Descriptor: NO APICAL MERISTEM PROTEIN
Authors:Ernst, H.A, Olsen, A.N, Skriver, K, Larsen, S, Lo Leggio, L.
Deposit date:2003-12-03
Release date:2004-03-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Conserved Domain of Anac, a Member of the Nac Family of Transcription Factors
Embo Rep., 5, 2004
1XGV
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BU of 1xgv by Molmil
Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix
Descriptor: Isocitrate dehydrogenase
Authors:Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N.-K, Ladenstein, R.
Deposit date:2004-09-17
Release date:2005-09-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability
J.Mol.Biol., 345, 2005
1XJJ
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BU of 1xjj by Molmil
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dGTP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ribonucleotide reductase, ...
Authors:Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase
Nat.Struct.Mol.Biol., 11, 2005
1XJF
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BU of 1xjf by Molmil
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, ribonucleotide reductase, ...
Authors:Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1XJK
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BU of 1xjk by Molmil
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dGTP-ADP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P.
Deposit date:2004-09-23
Release date:2005-11-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1W6H
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BU of 1w6h by Molmil
Novel plasmepsin II-inhibitor complex
Descriptor: N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2
Authors:Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
Deposit date:2004-08-18
Release date:2006-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
1XWG
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BU of 1xwg by Molmil
Human GST A1-1 T68E mutant
Descriptor: Glutathione S-transferase A1
Authors:Grahn, E, Jakobsson, E, Gustafsson, A, Novotny, M, Grehn, L, Olin, B, Madsen, D, Wahlberg, M, Mannervik, B, Kleywegt, G.J.
Deposit date:2004-11-01
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix.
Acta Crystallogr.,Sect.D, 62, 2006
2A47
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BU of 2a47 by Molmil
Crystal structure of amFP486 H199T
Descriptor: BETA-MERCAPTOETHANOL, GFP-like fluorescent chromoprotein amFP486
Authors:Henderson, J.N, Remington, S.J.
Deposit date:2005-06-28
Release date:2005-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures and mutational analysis of amFP486, a cyan fluorescent protein from Anemonia majano
Proc.Natl.Acad.Sci.Usa, 102, 2005
3S2V
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BU of 3s2v by Molmil
Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
Descriptor: (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2011-05-17
Release date:2011-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
2A46
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BU of 2a46 by Molmil
Crystal structures of amFP486, a cyan fluorescent protein from Anemonia majano, and variants
Descriptor: BETA-MERCAPTOETHANOL, GFP-like fluorescent chromoprotein amFP486
Authors:Henderson, J.N, Remington, S.J.
Deposit date:2005-06-28
Release date:2005-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures and mutational analysis of amFP486, a cyan fluorescent protein from Anemonia majano
Proc.Natl.Acad.Sci.Usa, 102, 2005
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
Descriptor: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
Descriptor: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8GJ4
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BU of 8gj4 by Molmil
A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GIC
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BU of 8gic by Molmil
A1 Tei + Hpg: Adenylation domain 1 core construct from teicoplanin biosynthesis; 4-hydroxyphenylglycine bound
Descriptor: (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GJP
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BU of 8gjp by Molmil
A1 Int graft: Adenylation domain 1 core construct from teicoplanin biosynthesis, intermediate selection pocket graft
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-16
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023

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