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2XM7
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BU of 2xm7 by Molmil
Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway
Descriptor: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 1,2-ETHANEDIOL, CLOQ, ...
Authors:Metzger, U, Keller, S, Stevenson, C.E.M, Heide, L, Lawson, D.M.
Deposit date:2010-07-25
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and Mechanism of the Magnesium-Independent Aromatic Prenyltransferase Cloq from the Clorobiocin Biosynthetic Pathway.
J.Mol.Biol., 404, 2010
2XP3
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DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
Descriptor: 5-(2-METHOXYPHENYL)-2-FUROIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
Deposit date:2010-08-25
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
2XMY
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BU of 2xmy by Molmil
Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents
Descriptor: 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M.
Deposit date:2010-07-29
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
2XO3
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Human Annexin V with incorporated Methionine analogue Homopropargylglycine
Descriptor: ANNEXIN A5, CALCIUM ION, SULFATE ION
Authors:Debela, M, Merkel, L, Goettig, P, Budisa, N.
Deposit date:2010-08-09
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Non-Canonical Amino Acids for Click Chemistry Reactions Incorporated in Human Annexin V
To be Published
4OL4
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BU of 4ol4 by Molmil
Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis
Descriptor: Proline-rich 28 kDa antigen
Authors:Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K.
Deposit date:2014-01-23
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28
J.Biol.Chem., 291, 2016
2XP5
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BU of 2xp5 by Molmil
DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
Descriptor: 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
Deposit date:2010-08-25
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
2XYQ
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BU of 2xyq by Molmil
Crystal structure of the nsp16 nsp10 SARS coronavirus complex
Descriptor: CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ...
Authors:Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B.
Deposit date:2010-11-18
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
2XZG
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BU of 2xzg by Molmil
Clathrin Terminal Domain Complexed with Pitstop 1
Descriptor: 2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE, ACETATE ION, CLATHRIN HEAVY CHAIN 1, ...
Authors:Bulut, H, Von Kleist, L, Saenger, W, Haucke, V.
Deposit date:2010-11-25
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition.
Cell(Cambridge,Mass.), 146, 2011
4ONF
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BU of 4onf by Molmil
Fab fragment of 3D6 in complex with amyloid beta 1-7
Descriptor: 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein
Authors:Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S.
Deposit date:2014-01-28
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab.
Alzheimers Res Ther, 6, 2014
2XYS
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BU of 2xys by Molmil
Crystal structure of Aplysia californica AChBP in complex with strychnine
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR, STRYCHNINE
Authors:Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C.
Deposit date:2010-11-19
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
4OU3
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BU of 4ou3 by Molmil
Crystal structure of porcine aminopeptidase N complexed with CNGRCG tumor-homing peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Liu, C, Yang, Y, Chen, L, Lin, Y.-L, Li, F.
Deposit date:2014-02-14
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Unified Mechanism for Aminopeptidase N-based Tumor Cell Motility and Tumor-homing Therapy.
J.Biol.Chem., 289, 2014
3H49
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BU of 3h49 by Molmil
Crystal structure of a putative Ribokinase (Apo Form) from E.coli at 1.8A resolution
Descriptor: Ribokinase
Authors:Satyanarayana, L, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-18
Release date:2009-04-28
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative Ribokinase (Apo Form) from E.coli at 1.8A resolution.
To be Published
3H4J
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BU of 3h4j by Molmil
crystal structure of pombe AMPK KDAID fragment
Descriptor: SNF1-like protein kinase ssp2
Authors:Chen, L, Jiao, Z.-H, Zheng, L.-S, Zhang, Y.-Y, Xie, S.-T, Wang, Z.-X, Wu, J.-W.
Deposit date:2009-04-20
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the autoinhibition mechanism of AMP-activated protein kinase
Nature, 459, 2009
3H8M
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BU of 3h8m by Molmil
SAM domain of human ephrin type-a receptor 7 (EPHA7)
Descriptor: Ephrin type-A receptor 7
Authors:Walker, J.R, Yermekbayeva, L, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAM Domain of Human Ephrin Type-A Receptor 7 (Epha7)
To be Published
3H8R
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BU of 3h8r by Molmil
Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked host-guest system
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*TP*GP*TP*AP*TP*(2YR)P*AP*TP*(6MA)P*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*TP*AP*TP*AP*AP*TP*AP*CP*A)-3', ...
Authors:Lu, L, Yi, C, Jian, X, Zheng, G, He, C.
Deposit date:2009-04-29
Release date:2010-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked protein-DNA system.
Nucleic Acids Res., 38, 2010
3H6N
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BU of 3h6n by Molmil
Crystal Structure of the ubiquitin-like domain of plexin D1
Descriptor: ARSENIC, Plexin-D1, UNKNOWN ATOM OR ION
Authors:Tong, Y, Nedyalkova, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Buck, M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-23
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Crystal Structure of the ubiquitin-like domain of plexin D1
To be Published
4OS3
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BU of 4os3 by Molmil
Three-dimensional structure of the C65A-W112F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
Deposit date:2014-02-12
Release date:2014-08-06
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
3HCT
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BU of 3hct by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the P1 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
4O6N
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BU of 4o6n by Molmil
Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound)
Descriptor: AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ...
Authors:Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-12-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
3HA7
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BU of 3ha7 by Molmil
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl (SADAE)
Descriptor: 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine, METHOXY MYCOLIC ACID SYNTHASE 4
Authors:Vaubourgeix, J, Boissier, F, Julien, S, Mourey, L.
Deposit date:2009-05-01
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:SADAE, a potent bisubstrate inhibitor of mycobacterium tuberculosis mycolic acid methyltransferases
To be Published
3HAK
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BU of 3hak by Molmil
Human prion protein variant V129
Descriptor: Major prion protein
Authors:Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
Deposit date:2009-05-01
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
3H4D
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BU of 3h4d by Molmil
Ternary complex of human DNA polymerase iota with template U/T and incoming dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*AP*CP*CP*(DOC)), 5'-D(*TP*(BRU)P*GP*GP*GP*TP*CP*CP*T), ...
Authors:Jain, R, Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2009-04-18
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Replication across template T/U by human DNA polymerase-iota.
Structure, 17, 2009
3HB9
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BU of 3hb9 by Molmil
Crystal Structure of S. aureus Pyruvate Carboxylase A610T Mutant
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Tong, L, Yu, L.P.C.
Deposit date:2009-05-04
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
Structure, 17, 2009
2XPA
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BU of 2xpa by Molmil
DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
Descriptor: 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
Deposit date:2010-08-25
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
3HCQ
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BU of 3hcq by Molmil
Structural analysis of the choline binding protein ChoX in a semi-closed and ligand-free conformation
Descriptor: Putative choline ABC transporter, periplasmic solute-binding component
Authors:Oswald, C, Smits, S.H.J, Hoeing, M, Bremer, E, Schmitt, L.
Deposit date:2009-05-06
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural analysis of the choline-binding protein ChoX in a semi-closed and ligand-free conformation.
Biol.Chem., 390, 2009

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