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6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
8G5E
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BU of 8g5e by Molmil
Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
Descriptor: Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION
Authors:Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-02-13
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
1K5N
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BU of 1k5n by Molmil
HLA-B*2709 BOUND TO NONA-PEPTIDE M9
Descriptor: GLYCEROL, beta-2-microglobulin, light chain, ...
Authors:Hulsmeyer, M, Hillig, R.C, Volz, A, Ruhl, M, Schroder, W, Saenger, W, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2001-10-11
Release date:2002-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:HLA-B27 Subtypes Differentially Associated with Disease Exhibit Subtle Structural Alterations
J.Biol.Chem., 277, 2002
5LJI
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BU of 5lji by Molmil
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J.
Deposit date:2016-07-18
Release date:2016-08-31
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
6TEQ
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BU of 6teq by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ...
Authors:Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
1K77
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BU of 1k77 by Molmil
Crystal Structure of EC1530, a Putative Oxygenase from Escherichia coli
Descriptor: FORMIC ACID, GLYCEROL, Hypothetical protein ygbM, ...
Authors:Kim, Y, Skarina, T, Beasley, S, Laskowski, R, Arrowsmith, C.H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-18
Release date:2002-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of Escherichia coli EC1530, a glyoxylate induced protein YgbM.
Proteins, 48, 2002
6QIV
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BU of 6qiv by Molmil
Crystal structure of seleno-derivative CAG repeats with synthetic CMBL4 compound
Descriptor: CMBL4, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
Authors:Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
Deposit date:2019-01-21
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
3SHG
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BU of 3shg by Molmil
VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin
Descriptor: L(+)-TARTARIC ACID, VbhA, VbhT
Authors:Goepfert, A, Schirmer, T.
Deposit date:2011-06-16
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
6QNR
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BU of 6qnr by Molmil
70S ribosome elongation complex (EC) with experimentally assigned potassium ions
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G.
Deposit date:2019-02-11
Release date:2019-06-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction.
Nat Commun, 10, 2019
1GW2
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BU of 1gw2 by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A THR171SER IN COMPLEX WITH FERULIC ACID
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, PEROXIDASE C1A, ...
Authors:Henriksen, A, Meno, K, Brissett, N, Gajhede, M.
Deposit date:2002-03-03
Release date:2003-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Hrpc Heme Crevice Architecture
To be Published
6OZV
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BU of 6ozv by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-16
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
7AA4
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BU of 7aa4 by Molmil
Structure of ClpC1-NTD bound to a CymA analogue
Descriptor: Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue
Authors:Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T.
Deposit date:2020-09-03
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
1ZAN
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BU of 1zan by Molmil
Crystal structure of anti-NGF AD11 Fab
Descriptor: CHLORIDE ION, Fab AD11 Heavy Chain, Fab AD11 Light Chain
Authors:Covaceuszach, S, Cattaneo, A, Cassetta, A, Lamba, D.
Deposit date:2005-04-06
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting NGF interactions with TrkA and p75 receptors by structural and functional studies of an anti-NGF neutralizing antibody.
J.Mol.Biol., 381, 2008
1AHZ
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BU of 1ahz by Molmil
STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH 4-(1-HEPTENYL)PHENOL
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, HEPTANYL-P-PHENOL, ...
Authors:Mattevi, A.
Deposit date:1997-04-10
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures and inhibitor binding in the octameric flavoenzyme vanillyl-alcohol oxidase: the shape of the active-site cavity controls substrate specificity.
Structure, 5, 1997
1AHU
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BU of 1ahu by Molmil
STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH P-CRESOL
Descriptor: N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
Authors:Mattevi, A.
Deposit date:1997-04-10
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures and inhibitor binding in the octameric flavoenzyme vanillyl-alcohol oxidase: the shape of the active-site cavity controls substrate specificity.
Structure, 5, 1997
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
Authors:Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-03-03
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
7A3W
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BU of 7a3w by Molmil
Structure of Imine Reductase from Pseudomonas sp.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ...
Authors:Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Multifunctional biocatalyst for conjugate reduction and reductive amination.
Nature, 604, 2022
8GS7
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BU of 8gs7 by Molmil
SOLUTION NMR STRUCTURE OF N-TERMINAL DOMAIN OF TRICONEPHILA CLAVIPES MAJOR AMPULLATE SPIDROIN 2
Descriptor: Major ampullate spidroin 2 variant 3
Authors:Oktaviani, N.A, Malay, A.D, Matsugami, A, Hayashi, F, Numata, K.
Deposit date:2022-09-05
Release date:2023-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Unusual p K a Values Mediate the Self-Assembly of Spider Dragline Silk Proteins.
Biomacromolecules, 24, 2023
5FJY
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BU of 5fjy by Molmil
Crystal structure of mouse kinesin light chain 2 (residues 161-480)
Descriptor: KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE
Authors:Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A.
Deposit date:2015-10-14
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Light Chains of Kinesin-1 are Autoinhibited.
Proc.Natl.Acad.Sci.USA, 113, 2016
6P52
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BU of 6p52 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
5LC6
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BU of 5lc6 by Molmil
Crystal structure of a single chain monellin mutant: Q28K/C41S/Y65R-MNEI
Descriptor: Monellin chain B,Monellin chain A, SULFATE ION
Authors:Pica, A, Merlino, A.
Deposit date:2016-06-19
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
6P56
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BU of 6p56 by Molmil
Crystal structure of the transpeptidase domain of a T498A mutant of PBP2 from Neisseria gonorrhoeae
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
3PUL
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BU of 3pul by Molmil
Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution
Descriptor: ACETATE ION, Dihydrodipicolinate synthase, GLYCEROL, ...
Authors:Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2010-12-06
Release date:2010-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution
to be published
2HJS
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BU of 2hjs by Molmil
The structure of a probable aspartate-semialdehyde dehydrogenase from Pseudomonas aeruginosa
Descriptor: 1,4-DIETHYLENE DIOXIDE, USG-1 protein homolog
Authors:Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-06-30
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a probable aspartate-semialdehyde dehydrogenase from Pseudomonas aeruginosa
To be published
6TBM
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BU of 6tbm by Molmil
Structure of SAGA bound to TBP, including Spt8 and DUB
Descriptor: Polyubiquitin-B, SAGA-associated factor 11, Spt20, ...
Authors:Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A.
Deposit date:2019-11-01
Release date:2020-02-12
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020

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