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4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5IFM
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BU of 5ifm by Molmil
Human NONO (p54nrb) Homodimer
Descriptor: CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ...
Authors:Knott, G.J, Bond, C.S.
Deposit date:2016-02-26
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry.
Acta Crystallogr D Struct Biol, 72, 2016
6HW0
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BU of 6hw0 by Molmil
Yeast 20S proteasome in complex with 7
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6SHB
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BU of 6shb by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1, in the presence of ssDNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-06
Release date:2020-07-08
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6HWO
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BU of 6hwo by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335
Descriptor: 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-10-12
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
6DXX
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BU of 6dxx by Molmil
Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ...
Authors:Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
Deposit date:2018-07-01
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6HX2
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BU of 6hx2 by Molmil
The structure of Dps from Listeria innocua soaked with Cobalt
Descriptor: COBALT (II) ION, DNA protection during starvation protein
Authors:Zeth, K, Okuda, M.
Deposit date:2018-10-15
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Metal Positions and Translocation Pathways of the Dodecameric Ferritin-like Protein Dps.
Inorg.Chem., 58, 2019
5DOY
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BU of 5doy by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic Hygromycin A, mRNA and three tRNAs in the A, P and E sites at 2.6A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N.
Deposit date:2015-09-11
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A.
Mol.Cell, 58, 2015
5DZY
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BU of 5dzy by Molmil
Protocadherin beta 8 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pcdhb8 protein, ...
Authors:Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
6SKG
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BU of 6skg by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome in TkNat10 deleted strain
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
Deposit date:2019-08-15
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
6HA1
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BU of 6ha1 by Molmil
Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N.
Deposit date:2018-08-07
Release date:2018-08-29
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5AA5
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BU of 5aa5 by Molmil
Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution
Descriptor: IRON/SULFUR CLUSTER, MALONIC ACID, NIFE-HYDROGENASE LARGE SUBUNIT, ...
Authors:Schaefer, C, Bommer, M, Hennig, S, Jeoung, J.H, Dobbek, H, Lenz, O.
Deposit date:2015-07-23
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation.
Structure, 24, 2016
4U26
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BU of 4u26 by Molmil
Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
5OLF
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BU of 5olf by Molmil
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells
Descriptor: GBA-ALA-CYS-ARG-PHE-PHE-CYS
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.
J. Med. Chem., 61, 2018
6I0Y
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BU of 6i0y by Molmil
TnaC-stalled ribosome complex with the titin I27 domain folding close to the ribosomal exit tunnel
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Su, T, Kudva, R, von Heijne, G, Beckmann, R.
Deposit date:2018-10-26
Release date:2018-12-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Folding pathway of an Ig domain is conserved on and off the ribosome.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6SZO
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BU of 6szo by Molmil
The glucuronoyl esterase OtCE15A S267A variant from Opitutus terrae in complex with D-galacturonate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L.
Deposit date:2019-10-02
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019
4UDF
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BU of 4udf by Molmil
STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES
Descriptor: Capsid protein VP0, Capsid protein VP3, HUMAN MONOCLONAL ANTIBODY
Authors:Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J.
Deposit date:2014-12-10
Release date:2015-07-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies.
J. Virol., 89, 2015
4U52
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BU of 4u52 by Molmil
Crystal structure of Nagilactone C bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
4ZRU
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BU of 4zru by Molmil
X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180)
Descriptor: 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine, Acetylcholine-binding protein, PHOSPHATE ION
Authors:Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T.
Deposit date:2015-05-12
Release date:2015-05-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs, and Structural Features of a High-Affinity, Non-selective NNR Ligand-AChBP Co-crystal Structure
To be Published
5A8K
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BU of 5a8k by Molmil
METHYL-COENZYME M REDUCTASE FROM METHANOTHERMOBACTER WOLFEII AT 1.4 A RESOLUTION
Descriptor: 1-THIOETHANESULFONIC ACID, 2-ETHOXYETHANOL, CALCIUM ION, ...
Authors:Wagner, T, Ermler, U.
Deposit date:2015-07-16
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Didehydroaspartate Modification in Methyl-Coenzyme M Reductase Catalyzing Methane Formation.
Angew.Chem.Int.Ed.Engl., 55, 2016
6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Descriptor: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
Deposit date:2019-10-03
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
5O1Q
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BU of 5o1q by Molmil
LysF1 sh3b domain structure
Descriptor: sh3b domain
Authors:Benesik, M, Novacek, J, Janda, L, Dopitova, R, Pernisova, M, Melkova, K, Tisakova, L, Doskar, J, Zidek, L, Hejatko, J, Pantucek, R.
Deposit date:2017-05-19
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Role of SH3b binding domain in a natural deletion mutant of Kayvirus endolysin LysF1 with a broad range of lytic activity.
Virus Genes, 54, 2018
6DUZ
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BU of 6duz by Molmil
Structure of the periplasmic domains of PrgH and PrgK from the assembled Salmonella type III secretion injectisome needle complex
Descriptor: Lipoprotein PrgK, Protein PrgH
Authors:Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J.
Deposit date:2018-06-22
Release date:2018-10-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin.
Nat Commun, 9, 2018
6SHH
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BU of 6shh by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57
Descriptor: (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-06
Release date:2020-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020

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