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1YVS
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BU of 1yvs by Molmil
Trimeric domain swapped barnase
Descriptor: BARNASE, SULFATE ION
Authors:Zegers, I, Wyns, L.
Deposit date:1998-12-10
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trimeric domain-swapped barnase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1YYY
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BU of 1yyy by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
4GW1
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BU of 4gw1 by Molmil
cQFD Meditope
Descriptor: Fab heavy chain, Fab light chain, PHOSPHATE ION, ...
Authors:Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C.
Deposit date:2012-08-31
Release date:2013-10-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HJS
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BU of 4hjs by Molmil
Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)ethanesulfonamide
Descriptor: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2012-10-14
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
4HIQ
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BU of 4hiq by Molmil
The Structure of V122I Mutant Transthyretin in Complex with AG10
Descriptor: 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
2WQ1
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BU of 2wq1 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating bromide
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
4HIS
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BU of 4his by Molmil
The Structure of V122I Mutant Transthyretin in Complex with Tafamidis
Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HJU
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BU of 4hju by Molmil
Transthyretin in complex with (E)-N-(3-(4-hydroxy-3,5-dimethylstyryl)phenyl)acrylamide
Descriptor: N-{3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2012-10-14
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
1YTT
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BU of 1ytt by Molmil
YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K
Descriptor: MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION
Authors:Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T.
Deposit date:1995-11-09
Release date:1996-06-10
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of protein solvation and discrete disorder with experimental crystallographic phases.
Science, 271, 1996
4HJT
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BU of 4hjt by Molmil
Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide
Descriptor: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2012-10-14
Release date:2013-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
2WQ3
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BU of 2wq3 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride and nitrate
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, NITRATE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
1YJC
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BU of 1yjc by Molmil
SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE
Descriptor: CALCIUM ION, SUBTILISIN 8397+1
Authors:Kidd, R.D, Farber, G.K.
Deposit date:1996-01-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
1YJA
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BU of 1yja by Molmil
SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 20% DIMETHYLFORMAMIDE
Descriptor: CALCIUM ION, SUBTILISIN 8397+1
Authors:Kidd, R.D, Farber, G.K.
Deposit date:1996-01-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
227D
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BU of 227d by Molmil
A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY
Descriptor: 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S.
Deposit date:1995-08-08
Release date:1995-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity.
Biochemistry, 35, 1996
5TDX
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BU of 5tdx by Molmil
Resurrected Ancestral Hydroxynitrile Lyase from Flowering Plants
Descriptor: Ancestral Hydroxynitrile Lyase 1, GLYCEROL
Authors:Jones, B.J, Evans, R, Wilmot, C.M, Kazlauskas, R.J.
Deposit date:2016-09-20
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Larger active site in an ancestral hydroxynitrile lyase increases catalytically promiscuous esterase activity.
Plos One, 15, 2020
5TEU
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BU of 5teu by Molmil
Brucella periplasmic binding protein YehZ
Descriptor: ACETATE ION, L(+)-TARTARIC ACID, SULFATE ION, ...
Authors:Herrou, J, Crosson, S.
Deposit date:2016-09-22
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Conserved ABC Transport System Regulated by the General Stress Response Pathways of Alpha- and Gammaproteobacteria.
J. Bacteriol., 199, 2017
2VOY
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BU of 2voy by Molmil
CryoEM model of CopA, the copper transporting ATPase from Archaeoglobus fulgidus
Descriptor: CATION-TRANSPORTING ATPASE, P-TYPE, POTENTIAL COPPER-TRANSPORTING ATPASE, ...
Authors:Wu, C.-C, Rice, W.J, Stokes, D.L.
Deposit date:2008-02-25
Release date:2009-05-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Structure of a Copper Pump Suggests a Regulatory Role for its Metal-Binding Domain.
Structure, 16, 2008
2XF4
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BU of 2xf4 by Molmil
Crystal structure of Salmonella enterica serovar typhimurium YcbL
Descriptor: HYDROXYACYLGLUTATHIONE HYDROLASE, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Stamp, A, Owen, P, El Omari, K, Nichols, C, Lockyer, M, Lamb, H, Charles, I, Hawkins, A.R, Stammers, D.K.
Deposit date:2010-05-20
Release date:2010-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Characterization of Salmonella Enterica Serovar Typhimurium Ycbl: An Unusual Type II Glyoxalase
Protein Sci., 19, 2010
1ZV4
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BU of 1zv4 by Molmil
Structure of the Regulator of G-Protein Signaling 17 (RGSZ2)
Descriptor: Regulator of G-protein signaling 17
Authors:Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-06-01
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2A1O
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BU of 2a1o by Molmil
Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Poulos, T.L.
Deposit date:2005-06-20
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005
4I7T
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BU of 4i7t by Molmil
T4 Lysozyme L99A/M102H with 2-bromo-5-hydroxybenzaldehyde bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 2-bromo-5-hydroxybenzaldehyde, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
2AFX
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BU of 2afx by Molmil
Crystal structure of human glutaminyl cyclase in complex with 1-benzylimidazole
Descriptor: 1-BENZYL-1H-IMIDAZOLE, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
Deposit date:2005-07-26
Release date:2005-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
5U0G
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BU of 5u0g by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
4GUI
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BU of 4gui by Molmil
1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase, NICKEL (II) ION
Authors:Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-29
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
2WG6
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BU of 2wg6 by Molmil
Proteasome-Activating Nucleotidase (PAN) N-domain (57-134) from Archaeoglobus fulgidus fused to GCN4, P61A Mutant
Descriptor: GENERAL CONTROL PROTEIN GCN4, PROTEASOME-ACTIVATING NUCLEOTIDASE
Authors:Hartmann, M.D, Djuranovic, S, Ursinus, A, Zeth, K, Lupas, A.N.
Deposit date:2009-04-15
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Activity of the N-Terminal Substrate Recognition Domains in Proteasomal Atpases.
Mol.Cell, 34, 2009

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