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1SM7
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BU of 1sm7 by Molmil
Solution structure of the recombinant pronapin precursor, BnIb.
Descriptor: recombinant Ib pronapin
Authors:Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J.
Deposit date:2004-03-08
Release date:2005-02-01
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties.
Biochemistry, 43, 2004
2BWS
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BU of 2bws by Molmil
His243Ala Escherichia coli Aminopeptidase P
Descriptor: CHLORIDE ION, MANGANESE (II) ION, XAA-PRO AMINOPEPTIDASE P
Authors:Graham, S.C, Guss, J.M.
Deposit date:2005-07-19
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
Descriptor: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
Authors:Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
Deposit date:2013-07-23
Release date:2014-05-21
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
1SMR
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BU of 1smr by Molmil
The 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen
Descriptor: INHIBITOR CH-66, RENIN
Authors:Dealwis, C.G, Blundell, T.L.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen.
J.Mol.Biol., 236, 1994
1S7P
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BU of 1s7p by Molmil
Solution structure of thermolysin digested microcin J25
Descriptor: microcin J25
Authors:Rosengren, K.J, Blond, A, Afonso, C, Tabet, J.C, Rebuffat, S, Craik, D.J.
Deposit date:2004-01-30
Release date:2004-06-15
Last modified:2011-07-27
Method:SOLUTION NMR
Cite:Structure of thermolysin cleaved microcin J25: extreme stability of a two-chain antimicrobial peptide devoid of covalent links
Biochemistry, 43, 2004
1SGF
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BU of 1sgf by Molmil
CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NERVE GROWTH FACTOR, ...
Authors:Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q.
Deposit date:1997-08-08
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins.
Structure, 5, 1997
2BM4
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BU of 2bm4 by Molmil
The Structure of MfpA (Rv3361c, C2 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix.
Descriptor: PENTAPEPTIDE REPEAT FAMILY PROTEIN
Authors:Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S.
Deposit date:2005-03-09
Release date:2005-06-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
1SKX
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BU of 1skx by Molmil
Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
Descriptor: Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
1SDE
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BU of 1sde by Molmil
Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor
Descriptor: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
Deposit date:2004-02-13
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Biochemistry, 43, 2004
1SC8
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BU of 1sc8 by Molmil
Urokinase Plasminogen Activator B-Chain-J435 Complex
Descriptor: N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE, SULFATE ION, plasminogen activator, ...
Authors:Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J.
Deposit date:2004-02-12
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
1SOJ
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BU of 1soj by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-15
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
1SO2
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BU of 1so2 by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR
Descriptor: 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL, 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE, MAGNESIUM ION, ...
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-12
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
1SH3
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BU of 1sh3 by Molmil
Crystal Structure of Norwalk Virus Polymerase (MgSO4 crystal form)
Descriptor: MAGNESIUM ION, RNA Polymerase
Authors:Ng, K.K, Pendas-Franco, N, Rojo, J, Boga, J.A, Machin, A, Alonso, J.M, Parra, F.
Deposit date:2004-02-24
Release date:2004-03-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of norwalk virus polymerase reveals the carboxyl terminus in the active site cleft.
J.Biol.Chem., 279, 2004
4MHO
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BU of 4mho by Molmil
Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE)
Descriptor: Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2013-08-30
Release date:2014-07-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MIC
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BU of 4mic by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
Descriptor: Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2013-08-30
Release date:2014-07-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MWR
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BU of 4mwr by Molmil
Anhui N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWX
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BU of 4mwx by Molmil
Shanghai N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MI9
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BU of 4mi9 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20)
Descriptor: Glycogen phosphorylase, muscle form, N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2013-08-30
Release date:2014-07-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MIW
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BU of 4miw by Molmil
High-resolution structure of the N-terminal endonuclease domain of the Lassa virus L polymerase
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L
Authors:Wallat, G.D, Huang, Q, Wang, W, Dong, H, Ly, H, Liang, Y, Dong, C.
Deposit date:2013-09-02
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:High-resolution structure of the N-terminal endonuclease domain of the lassa virus L polymerase in complex with magnesium ions.
Plos One, 9, 2014
4MWJ
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BU of 4mwj by Molmil
Anhui N9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWW
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BU of 4mww by Molmil
Shanghai N9-oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWQ
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BU of 4mwq by Molmil
Anhui N9-oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4LNG
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BU of 4lng by Molmil
Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib
Descriptor: 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LNB
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BU of 4lnb by Molmil
Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5
Descriptor: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014

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