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5G1C
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BU of 5g1c by Molmil
Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395
Descriptor: (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
9CCS
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BU of 9ccs by Molmil
CryoEM Structure of Escherichia coli FimCH in complex with 2H04 Fab
Descriptor: 2H04 Fab heavy chain, 2H04 Fab light chain, Type 1 fimbiral adhesin FimH
Authors:Lopatto, E.D.B, Hultgren, S.J.
Deposit date:2024-06-23
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Monoclonal antibodies targeting the FimH adhesin protect against uropathogenic E. coli UTI.
Sci Adv, 11, 2025
9CCW
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BU of 9ccw by Molmil
CryoEM Structure of Escherichia coli FimCH in complex with 2C07 Fab
Descriptor: 2C07 heavy chain, 2C07 light chain, Type 1 fimbiral adhesin FimH
Authors:Lopatto, E.D.B, Hultgren, S.J.
Deposit date:2024-06-23
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Monoclonal antibodies targeting the FimH adhesin protect against uropathogenic E. coli UTI.
Sci Adv, 11, 2025
9CCU
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BU of 9ccu by Molmil
CryoEM Structure of Escherichia coli FimCH in complex with F7 Fab
Descriptor: F7 Fab heavy chain, F7 Fab light chain, Type 1 fimbiral adhesin FimH
Authors:Lopatto, E.D.B, Hultgren, S.J.
Deposit date:2024-06-23
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Monoclonal antibodies targeting the FimH adhesin protect against uropathogenic E. coli UTI.
Sci Adv, 11, 2025
9CCT
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BU of 9cct by Molmil
CryoEM Structure of Escherichia coli FimCH in complex with B7 Fab
Descriptor: B7 Fab light chain, B7 heavy chain, Type 1 fimbiral adhesin FimH
Authors:Lopatto, E.D.B, Hultgren, S.J.
Deposit date:2024-06-23
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Monoclonal antibodies targeting the FimH adhesin protect against uropathogenic E. coli UTI.
Sci Adv, 11, 2025
5FKA
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BU of 5fka by Molmil
Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor
Descriptor: STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins.
Sci.Rep., 6, 2016
6L0R
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BU of 6l0r by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Acetylserine
Descriptor: (2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
5FKZ
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BU of 5fkz by Molmil
Structure of E.coli Constitutive lysine decarboxylase
Descriptor: LYSINE DECARBOXYLASE, CONSTITUTIVE
Authors:Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I.
Deposit date:2015-10-20
Release date:2016-09-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
5FMG
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BU of 5fmg by Molmil
Structure and function based design of Plasmodium-selective proteasome inhibitors
Descriptor: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ...
Authors:Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M.
Deposit date:2015-11-04
Release date:2016-03-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
1LLR
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BU of 1llr by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012
Descriptor: 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2002-04-30
Release date:2002-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
1T5C
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BU of 1t5c by Molmil
Crystal structure of the motor domain of human kinetochore protein CENP-E
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Centromeric protein E, MAGNESIUM ION, ...
Authors:Garcia-Saez, I, Yen, T, Wade, R.H, Kozielski, F, Structural Proteomics in Europe (SPINE)
Deposit date:2004-05-04
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the motor domain of the human kinetochore protein CENP-E.
J.Mol.Biol., 340, 2004
6APV
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BU of 6apv by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-18
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
5J18
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BU of 5j18 by Molmil
Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I)
Descriptor: N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf
Authors:Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P.
Deposit date:2016-03-29
Release date:2016-05-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
7LXJ
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BU of 7lxj by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
Descriptor: CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*CP*TP*TP*TP*GP*C)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2021-03-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
6L0S
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BU of 6l0s by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine
Descriptor: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
2JX2
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BU of 2jx2 by Molmil
Solution conformation of RNA-bound NELF-E RRM
Descriptor: Negative elongation factor E
Authors:Jampani, N, Schweimer, K, Wenzel, S, Woehrl, B.M, Roesch, P.
Deposit date:2007-11-02
Release date:2008-04-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding
Biochemistry, 47, 2008
7N6K
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BU of 7n6k by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RALALLPLSR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L0Q
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BU of 6l0q by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
7N6J
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BU of 7n6j by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N6L
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BU of 7n6l by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide EANQQKPLLGLFADG
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, GLYCEROL, ...
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
6F6U
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BU of 6f6u by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b
Descriptor: 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, GLYCEROL, MAGNESIUM ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6L0P
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BU of 6l0p by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
2JAM
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BU of 2jam by Molmil
Crystal structure of human calmodulin-dependent protein kinase I G
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ...
Authors:Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S.
Deposit date:2006-11-29
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G
To be Published
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
Descriptor: 8G12 heavy chain, 8G12 light chain, Capsid protein
Authors:Tang, X.H, Li, S.W, Sivaraman, J.
Deposit date:2014-05-18
Release date:2015-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
6F8T
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BU of 6f8t by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a
Descriptor: (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018

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