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1Q44
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BU of 1q44 by Molmil
Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase
Descriptor: MALONIC ACID, Steroid Sulfotransferase
Authors:Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2003-08-01
Release date:2003-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana
Proteins, 57, 2004
3GTF
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BU of 3gtf by Molmil
D71G/E101G/V235L mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GX6
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BU of 3gx6 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride
Descriptor: MANGANESE (II) ION, RNA (94-MER), S-ADENOSYLMETHIONINE
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3WOZ
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BU of 3woz by Molmil
Crystal structure of CLASP2 TOG domain (TOG3)
Descriptor: CLIP-associating protein 2
Authors:Hayashi, I, Maki, T.
Deposit date:2014-01-06
Release date:2015-05-27
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics
J. Mol. Biol., 427, 2015
3GX7
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BU of 3gx7 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G mutant A6C/U7G/A87C/U88G bound with SAM
Descriptor: MAGNESIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3GX3
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BU of 3gx3 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAH
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (94-MER), ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
4QDR
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BU of 4qdr by Molmil
Physical basis for Nrp2 ligand binding
Descriptor: Neuropilin-2
Authors:Parker, M.W, Vander Kooi, C.W.
Deposit date:2014-05-14
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for VEGF-C Binding to Neuropilin-2 and Sequestration by a Soluble Splice Form.
Structure, 23, 2015
4QDS
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BU of 4qds by Molmil
Physical basis for Nrp2 ligand binding
Descriptor: ACETATE ION, GLYCEROL, Neuropilin-2
Authors:Parker, M.W, Vander Kooi, C.W.
Deposit date:2014-05-14
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for VEGF-C Binding to Neuropilin-2 and Sequestration by a Soluble Splice Form.
Structure, 23, 2015
3HA4
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BU of 3ha4 by Molmil
Crystal structure of the type one membrane protein MIX1 from Leishmania
Descriptor: CARBONATE ION, MIX1
Authors:Gorman, M.A, Walsh, P.J, Parker, M.W.
Deposit date:2009-05-01
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Leishmania major MIX protein: A scaffold protein that mediates protein-protein interactions.
Protein Sci., 20, 2011
4R5N
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BU of 4r5n by Molmil
8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors
Descriptor: (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2014-08-21
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
3HFJ
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BU of 3hfj by Molmil
Bacillus anthracis nicotinate mononucleotide adenylytransferase (nadD) in complex with inhibitor CID 3289443
Descriptor: 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
Authors:Zhang, H, Huang, N, Eyobo, Y.
Deposit date:2009-05-11
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3E37
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BU of 3e37 by Molmil
Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor 5
Descriptor: Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ZINC ION, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3GTX
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BU of 3gtx by Molmil
D71G/E101G mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-28
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GTI
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BU of 3gti by Molmil
D71G/E101G/M234L mutant in organophosphorus hydrolase from Deinococcus radiodurans
Descriptor: COBALT (II) ION, Organophosphorus hydrolase, SODIUM ION
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3H8V
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BU of 3h8v by Molmil
Human Ubiquitin-activating Enzyme 5 in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION
Authors:Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, 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 Å)
Cite:Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme.
J.Biol.Chem., 285, 2010
3HJ3
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BU of 3hj3 by Molmil
Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Chain A, ...
Authors:Anderson, K.S, Martucci, W.E.
Deposit date:2009-05-20
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring novel strategies for AIDS protozoal pathogens: alpha-helix mimetics targeting a key allosteric protein-protein interaction in C. hominis TS-DHFR.
Medchemcomm, 4, 2013
3HTW
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BU of 3htw by Molmil
Organophosphorus hydrolase from Deinococcus radiodurans with cacodylate bound
Descriptor: CACODYLATE ION, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
Deposit date:2009-06-12
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
Descriptor: ENDOTHIAPEPSIN, L363,564
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
Descriptor: ENDOTHIAPEPSIN, H-256 peptide
Authors:Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
Deposit date:1990-10-13
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
Descriptor: ENDOTHIAPEPSIN, L364,099
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ERM
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BU of 2erm by Molmil
Solution structure of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue
Descriptor: 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, ISOPROPYL ALCOHOL
Authors:Canales, A, Lozano, R, Nieto, P.M, Martin-Lomas, M, Gimenez-Gallego, G, Jimenez-Barbero, J.
Deposit date:2005-10-25
Release date:2006-10-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue.
Febs J., 273, 2006
7SND
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BU of 7snd by Molmil
Pacifastin related protease inhibitors
Descriptor: GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7SNC
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BU of 7snc by Molmil
Pacifastin related protease inhibitors
Descriptor: Protease inhibitor
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022

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