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1S2Q
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BU of 1s2q by Molmil
Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)
Descriptor: (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
Deposit date:2004-01-09
Release date:2004-03-30
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
2SGQ
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GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5
Descriptor: Ovomucoid, PHOSPHATE ION, Streptogrisin B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
5HLP
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BU of 5hlp by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
Descriptor: 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
7YRN
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BU of 7yrn by Molmil
Cyro-EM structure of HCMV glycoprotein B in complex with 1B03 Fab
Descriptor: 1B03 Fab antibody Heavy Chain, 1B03 Fab antibody Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, H, Zhu, S, Liao, H.
Deposit date:2022-08-10
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Cyro-EM structure of HCMV glycoprotein B in complex with 1B03 Fab
To Be Published
3DCG
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BU of 3dcg by Molmil
Crystal Structure of the HIV Vif BC-box in Complex with Human ElonginB and ElonginC
Descriptor: Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor
Authors:Stanley, B.J, Ehrlich, E.S, Short, L, Yu, Y, Xiao, Z, Yu, X.-F, Xiong, Y.
Deposit date:2008-06-03
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the human immunodeficiency virus Vif SOCS box and its role in human E3 ubiquitin ligase assembly
J.Virol., 82, 2008
5HNR
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BU of 5hnr by Molmil
The X-ray structure of octameric human native 5-aminolaevulinic acid dehydratase.
Descriptor: DELTA-AMINO VALERIC ACID, Delta-aminolevulinic acid dehydratase, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Shoolingin-Jordan, P.M, Erskine, P.T, Cooper, J.B.
Deposit date:2016-01-18
Release date:2016-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
2SPZ
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BU of 2spz by Molmil
STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES
Descriptor: IMMUNOGLOBULIN G BINDING PROTEIN A
Authors:Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution solution NMR structure of the Z domain of staphylococcal protein A.
J.Mol.Biol., 272, 1997
5HVP
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BU of 5hvp by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION
Descriptor: ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE
Authors:Fitzgerald, P.M.D, Mckeever, B.M, Vanmiddlesworth, J.F, Springer, J.P.
Deposit date:1990-04-30
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution.
J.Biol.Chem., 265, 1990
4AUL
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BU of 4aul by Molmil
Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum
Descriptor: CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J.
Deposit date:2012-05-18
Release date:2013-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
4K6L
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BU of 4k6l by Molmil
Structure of Typhoid Toxin
Descriptor: Cytolethal distending toxin subunit B homolog, GLYCEROL, Putative pertussis-like toxin subunit
Authors:Gao, X, Song, J, Galan, J.
Deposit date:2013-04-16
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin.
Nature, 499, 2013
8RRP
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BU of 8rrp by Molmil
Insulin Icodec - A14E B16H B25H B29Ne-C20 diacid-LgGlu-2xAdo desB30 human insulin
Descriptor: ACETATE ION, Insulin, Insulin B chain
Authors:Schluckebier, G, Johansson, E.
Deposit date:2024-01-23
Release date:2024-07-10
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhanced disulphide bond stability contributes to the once-weekly profile of insulin icodec.
Nat Commun, 15, 2024
8GW2
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BU of 8gw2 by Molmil
Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP13-14
Descriptor: Heat-labile enterotoxin IIB, B chain
Authors:Hsu, S.H, Yuan, Y.T, Sue, S.C.
Deposit date:2022-09-16
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant (CP13-14)
To Be Published
1IVB
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BU of 1ivb by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
5I3B
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BU of 5i3b by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site
Descriptor: Tyrosinase, ZINC ION, benzene-1,4-diol
Authors:Kanteev, M, Deri, B, Adir, N, Fishman, A.
Deposit date:2016-02-10
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
4BQ4
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BU of 4bq4 by Molmil
Structural analysis of an exo-beta-agarase
Descriptor: 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, B-AGARASE, CALCIUM ION, ...
Authors:Pluvinage, B, Hehemann, J.H, Boraston, A.B.
Deposit date:2013-05-29
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate Recognition and Hydrolysis by a Family 50 Exo-Beta-Agarase Aga50D from the Marine Bacterium Saccharophagus Degradans
J.Biol.Chem., 288, 2013
2V03
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BU of 2v03 by Molmil
High resolution structure and catalysis of an O-acetylserine sulfhydrylase
Descriptor: CITRIC ACID, Cysteine synthase B, GLYCEROL, ...
Authors:Zocher, G, Wiesand, U, Schulz, G.E.
Deposit date:2007-05-08
Release date:2007-10-09
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High resolution structure and catalysis of O-acetylserine sulfhydrylase isozyme B from Escherichia coli.
FEBS J., 274, 2007
2VA9
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BU of 2va9 by Molmil
Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M.
Deposit date:2007-08-30
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
6Q56
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BU of 6q56 by Molmil
Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK
Descriptor: NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase
Authors:Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C.
Deposit date:2018-12-07
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition.
Nucleic Acids Res., 47, 2019
6Q79
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BU of 6q79 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.009 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2018-12-13
Release date:2019-03-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
1S3E
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BU of 1s3e by Molmil
Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan
Descriptor: (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
Deposit date:2004-01-13
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
1SGY
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BU of 1sgy by Molmil
TYR 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5
Descriptor: Ovomucoid, PHOSPHATE ION, Streptogrisin B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
3LWN
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BU of 3lwn by Molmil
Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex B)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, IpgB2, MAGNESIUM ION, ...
Authors:Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W.
Deposit date:2010-02-24
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
8ROO
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BU of 8roo by Molmil
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ...
Authors:Murdolo, L.D, Maddumage, J.C, Gras, S.
Deposit date:2024-01-11
Release date:2024-05-08
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
4UZV
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BU of 4uzv by Molmil
Structure of a triple mutant of ASV-TfTrHb
Descriptor: ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A.
Deposit date:2014-09-09
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Murdolo, L.D, Maddumage, J.C, Gras, S.
Deposit date:2024-01-12
Release date:2024-05-08
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024

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