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5A7H
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BU of 5a7h by Molmil
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
Descriptor: IODIDE ION, LIVER CARBOXYLESTERASE 1
Authors:Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
Deposit date:2015-07-04
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
1COL
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BU of 1col by Molmil
REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION
Descriptor: COLICIN A
Authors:Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D.
Deposit date:1991-07-06
Release date:1992-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined structure of the pore-forming domain of colicin A at 2.4 A resolution.
J.Mol.Biol., 224, 1992
5A7G
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BU of 5a7g by Molmil
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1
Authors:Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
Deposit date:2015-07-04
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
5A7F
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BU of 5a7f by Molmil
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, PHOSPHATE ION
Authors:Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
Deposit date:2015-07-03
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
Descriptor: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3HNA
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BU of 3hna by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ...
Authors:Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2009-05-30
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
4BLD
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BU of 4bld by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-10
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
Descriptor: Chromobox protein homolog 6, Histone H3K9me3 peptide
Authors:Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3GW9
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BU of 3gw9 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide
Descriptor: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-03-31
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3VFH
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BU of 3vfh by Molmil
BlaC E166A CDC-1 Acyl-Intermediate
Descriptor: (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
5CVW
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BU of 5cvw by Molmil
CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS
Descriptor: 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ...
Authors:Motlova, L, Barinka, C, Bumba, L.
Deposit date:2015-07-27
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts.
Mol.Cell, 62, 2016
4JYT
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BU of 4jyt by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
Descriptor: 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-01
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
4JZ1
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BU of 4jz1 by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
Descriptor: 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-02
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
4JZI
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BU of 4jzi by Molmil
Crystal Structure of Matriptase in complex with Inhibitor".
Descriptor: N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-03
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
1TIN
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BU of 1tin by Molmil
THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF CUCURBITA MAXIMA TRYPSIN INHIBITOR-V DETERMINED BY NMR SPECTROSCOPY
Descriptor: TRYPSIN INHIBITOR V
Authors:Cai, M, Gong, Y, Kao, J, Krishnamoorthi, R.
Deposit date:1994-10-28
Release date:1995-01-26
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy.
Biochemistry, 34, 1995
4FXY
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BU of 4fxy by Molmil
Crystal structure of rat neurolysin with bound pyrazolidin inhibitor
Descriptor: 1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea, Neurolysin, mitochondrial, ...
Authors:Rodgers, D.W, Hines, C.S.
Deposit date:2012-07-03
Release date:2013-11-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric inhibition of the neuropeptidase neurolysin.
J.Biol.Chem., 289, 2014
3F70
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BU of 3f70 by Molmil
Crystal structure of L3MBTL2-H4K20me1 complex
Descriptor: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
4NKN
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BU of 4nkn by Molmil
The Crystal Structure of the N-terminal domain of COMMD9
Descriptor: COMM domain-containing protein 9
Authors:Hospenthal, M, Celligoi, D, Lott, J.S.
Deposit date:2013-11-12
Release date:2014-11-26
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural insights into the architecture and membrane interactions of the conserved COMMD proteins.
Elife, 7, 2018
4BL2
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BU of 4bl2 by Molmil
Crystal structure of PBP2a clinical mutant E150K from MRSA
Descriptor: CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2013-04-30
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
3LKR
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BU of 3lkr by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
Deposit date:2010-01-27
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
3P8H
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BU of 3p8h by Molmil
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
Descriptor: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
Authors:Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2010-10-13
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011

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