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3LWH
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BU of 3lwh by Molmil
Crystal structure of Cren7-dsDNA complex
Descriptor: Chromatin protein Cren7, DNA (5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3')
Authors:Zhang, Z.F, Gong, Y, Guo, L, Jiang, T, Huang, L.
Deposit date:2010-02-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the interaction of the crenarchaeal chromatin protein Cren7 with DNA
Mol.Microbiol., 76, 2010
8AAK
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BU of 8aak by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 29
Descriptor: (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAP
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Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi
Descriptor: (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAO
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BU of 8aao by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 95
Descriptor: (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
Descriptor: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.459 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
8ADF
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BU of 8adf by Molmil
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39
Descriptor: (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one, Peroxisome proliferator-activated receptor gamma
Authors:Capelli, D, Montanari, R, Pochetti, G, Meneghetti, F, Villa, S.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
3LYE
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BU of 3lye by Molmil
Crystal structure of oxaloacetate acetylhydrolase
Descriptor: CALCIUM ION, Oxaloacetate acetyl hydrolase
Authors:Herzberg, O, Chen, C.
Deposit date:2010-02-26
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
5X8D
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BU of 5x8d by Molmil
D90L mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
5X8K
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V158T mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: CHLORIDE ION, SODIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
6N3X
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BU of 6n3x by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
5XBC
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BU of 5xbc by Molmil
Crystal Structure Basis for PEDV nsp1
Descriptor: nsp1 protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2017-03-16
Release date:2017-12-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Crystal Structure Basis for PEDV nsp1
To Be Published
8AIW
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BU of 8aiw by Molmil
Structure of the K5/CagI complex
Descriptor: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5
Authors:Blanc, M, Guerin, J, Terradot, L.
Deposit date:2022-07-27
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
8AK1
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BU of 8ak1 by Molmil
Crystal structure of a CagI:K2 complex
Descriptor: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K2
Authors:Blanc, M, Guerin, J, Terradot, L.
Deposit date:2022-07-29
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
6N5N
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BU of 6n5n by Molmil
Structure of Human pir-miRNA-208a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Shoffner, G.M, Peng, Z, Guo, F.
Deposit date:2018-11-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N6A
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BU of 6n6a by Molmil
Vibrio cholerae Oligoribonuclease bound to pGG
Descriptor: Oligoribonuclease, RNA (5'-R(P*GP*G)-3'), SODIUM ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2018-11-26
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
6N6G
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BU of 6n6g by Molmil
Vibrio cholerae Oligoribonuclease bound to pCG
Descriptor: Oligoribonuclease, RNA (5'-R(P*CP*G)-3'), SODIUM ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2018-11-26
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.018 Å)
Cite:A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
6N6X
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BU of 6n6x by Molmil
OXA-23 mutant F110A/M221A neutral pH form imipenem complex
Descriptor: Beta-lactamase oxa23, Imipenem, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
8AV9
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BU of 8av9 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1
Descriptor: (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2022-08-26
Release date:2023-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Proc.Natl.Acad.Sci.USA, 120, 2023
5XAN
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BU of 5xan by Molmil
Crystal structure of SecDF in I form (P212121 space group)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POLYETHYLENE GLYCOL (N=34), Protein translocase subunit SecD
Authors:Tsukazaki, T, Tanaka, Y, Furukwa, A.
Deposit date:2017-03-14
Release date:2017-05-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF
Cell Rep, 19, 2017
5XEY
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BU of 5xey by Molmil
Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus
Descriptor: 1-[2,4,6-tris(oxidanyl)phenyl]ethanone, phloretin hydrolase
Authors:He, Y.X, Han, J.T, Jia, W.J, Zhang, Z.
Deposit date:2017-04-06
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
FEBS J., 2019
8A9Q
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BU of 8a9q by Molmil
Computational design of stable mammalian serum albumins for bacterial expression
Descriptor: Albumin, LAURIC ACID, MYRISTIC ACID, ...
Authors:Khersonsky, O, Dym, O, Fleishman, J.S.
Deposit date:2022-06-29
Release date:2023-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Stable Mammalian Serum Albumins Designed for Bacterial Expression.
J.Mol.Biol., 435, 2023
8AS2
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BU of 8as2 by Molmil
Structure of arrestin2 in complex with 4P CCR5 phosphopeptide and Fab30
Descriptor: Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ...
Authors:Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
8AS3
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BU of 8as3 by Molmil
Structure of arrestin2 in complex with 6P CCR5 phosphopeptide and Fab30
Descriptor: Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ...
Authors:Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
5XHU
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BU of 5xhu by Molmil
Crystal structure of ycgT from bacillus subtilis
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase
Authors:Komori, H.
Deposit date:2017-04-24
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of ycgT from bacillus subtilis
To Be Published
5XIF
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BU of 5xif by Molmil
Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii
Descriptor: CHLORIDE ION, Prolyl-tRNA synthetase (ProRS)
Authors:Jain, V, Manickam, Y, Sharma, A.
Deposit date:2017-04-26
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017

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