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7R4O
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BU of 7r4o by Molmil
Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
Descriptor: 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-08
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
6HWZ
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BU of 6hwz by Molmil
Selenols: a new class of Carbonic Anhydrase inhibitors
Descriptor: Carbonic anhydrase 1, ZINC ION, benzeneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2018-10-15
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
6QOY
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BU of 6qoy by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-azanylethyl)benzenesulfonic acid, CHLORIDE ION, ...
Authors:Gabdulkhakov, A, Tishchenko, S, Kudryakova, I, Afoshin, A, Vasilyeva, N.
Deposit date:2019-02-13
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction
Process Biochem, 2019
1Y0K
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BU of 1y0k by Molmil
Structure of Protein of Unknown Function PA4535 from Pseudomonas aeruginosa strain PAO1, Monooxygenase Superfamily
Descriptor: hypothetical protein PA4535
Authors:Nocek, B.P, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-11-15
Release date:2005-01-18
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:1.75 A Crystal Structure of the Hypothetical Protein Pa4535 from Pseudomonas Aeruginosa
To be Published
7R4P
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BU of 7r4p by Molmil
Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
Descriptor: 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-09
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
5E27
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BU of 5e27 by Molmil
The structure of Resuscitation Promoting Factor B from M. tuberculosis reveals unexpected ubiquitin-like domains
Descriptor: Resuscitation-promoting factor RpfB
Authors:Ruggiero, A, Squeglia, F, Romano, M, Vitagliano, L, De Simone, A, Berisio, R.
Deposit date:2015-09-30
Release date:2015-11-18
Last modified:2015-12-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains.
Biochim.Biophys.Acta, 1860, 2015
7HVP
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BU of 7hvp by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
Descriptor: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
Authors:Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
Deposit date:1990-09-13
Release date:1993-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
6QV8
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BU of 6qv8 by Molmil
Staphylococcus aureus superoxide dismutase SodM double mutant
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Basle, A, Barwinska-Sendra, A, Waldron, K.
Deposit date:2019-03-01
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An evolutionary path to altered cofactor specificity in a metalloenzyme.
Nat Commun, 11, 2020
1K5D
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BU of 1k5d by Molmil
Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex
Descriptor: GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
Deposit date:2001-10-10
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
6Q30
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BU of 6q30 by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
Descriptor: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6T9T
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BU of 6t9t by Molmil
Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904)
Descriptor: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein
Authors:Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T.
Deposit date:2019-10-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
5DS0
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BU of 5ds0 by Molmil
Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
Descriptor: COBALT (II) ION, GLYCEROL, Peptidase M42
Authors:Michalska, K, Chhor, G, Mootz, J, Endres, M, Jedrzejczak, R, Babnigg, G, Steen, A, Lloyd, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-09-16
Release date:2015-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
To Be Published
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
3J0S
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BU of 3j0s by Molmil
Remodeling of actin filaments by ADF cofilin proteins
Descriptor: Actin, cytoplasmic 1, Cofilin-2
Authors:Galkin, V.E, Orlova, A, Kudryashov, D.S, Solodukhin, A, Reisler, E, Schroeder, G.F, Egelman, E.H.
Deposit date:2011-11-24
Release date:2011-12-21
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Remodeling of actin filaments by ADF/cofilin proteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
5DN9
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BU of 5dn9 by Molmil
Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide
Descriptor: AZIDE ION, CHLORIDE ION, FDH, ...
Authors:Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
Deposit date:2015-09-09
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
6SU4
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BU of 6su4 by Molmil
Crystal structure of the 48C12 heliorhodopsin in the blue form at pH 4.3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, ACETATE ION, ...
Authors:Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V.
Deposit date:2019-09-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structural insights into the heliorhodopsin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
5DVL
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BU of 5dvl by Molmil
Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
3IZG
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BU of 3izg by Molmil
Bacteriophage T7 prohead shell EM-derived atomic model
Descriptor: Major capsid protein 10A
Authors:Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
Deposit date:2010-10-27
Release date:2010-11-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.9 Å)
Cite:Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
6QF3
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BU of 6qf3 by Molmil
X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
2CKD
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BU of 2ckd by Molmil
Crystal structure of ML2640 from Mycobacterium leprae
Descriptor: PUTATIVE S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE ML2640
Authors:Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Alzari, P.M.
Deposit date:2006-04-17
Release date:2007-05-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
1KKT
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BU of 1kkt by Molmil
Structure of P. citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the ER and Golgi Class I enzymes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannosyl-oligosaccharide alpha-1,2-mannosidase, ...
Authors:Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L.
Deposit date:2001-12-10
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes.
J.Biol.Chem., 277, 2002
6QJE
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BU of 6qje by Molmil
Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2019-01-24
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
To Be Published
2AL7
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BU of 2al7 by Molmil
Structure Of Human ADP-Ribosylation Factor-Like 10C
Descriptor: ADP-ribosylation factor-like 10C, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Ismail, S, Dimov, S, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2005-08-04
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:GTP-like conformation of GDP-bound ARL10C GTPase
To be Published
1KPM
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BU of 1kpm by Molmil
First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution.
Descriptor: ACETIC ACID, Phospholipase A2, VITAMIN E
Authors:Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P.
Deposit date:2002-01-01
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
3OCR
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BU of 3ocr by Molmil
Crystal structure of aldolase II superfamily protein from Pseudomonas syringae
Descriptor: Class II aldolase/adducin domain protein, SULFATE ION
Authors:Chang, C, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-10
Release date:2010-08-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of aldolase II superfamily protein from Pseudomonas syringae
To be Published

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