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6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2019-11-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
5NCR
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BU of 5ncr by Molmil
OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity
Descriptor: PHOSPHATE ION, SULFATE ION, tyrosine phosphatase
Authors:Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G.
Deposit date:2017-03-06
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
5H2P
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BU of 5h2p by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5GRJ
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BU of 5grj by Molmil
Crystal structure of human PD-L1 with monoclonal antibody avelumab
Descriptor: Programmed cell death 1 ligand 1, avelumab H chain, avelumab L chain
Authors:Liu, K, Tan, S, Chai, Y, Chen, D, Song, H, Zhang, C.W.-H, Shi, Y, Liu, J, Tan, W, Lyu, J, Gao, S, Yan, J, Qi, J, Gao, G.F.
Deposit date:2016-08-11
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.206 Å)
Cite:Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy.
Cell Res., 27, 2017
5H54
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BU of 5h54 by Molmil
Mdm12 from K. lactis 1-239
Descriptor: Mitochondrial distribution and morphology protein 12
Authors:Kawano, S, Quinbara, S, Endo, T.
Deposit date:2016-11-04
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5N1C
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BU of 5n1c by Molmil
Iodinated form of the Mycobacterium tuberculosis repressor EthR2
Descriptor: IODIDE ION, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2017-02-06
Release date:2017-04-26
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
5GVB
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BU of 5gvb by Molmil
SepB domain of human AND-1
Descriptor: WD repeat and HMG-box DNA-binding protein 1
Authors:Guan, C.C, Li, J.
Deposit date:2016-09-05
Release date:2017-04-19
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome.
J. Biol. Chem., 292, 2017
5N5W
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BU of 5n5w by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3
Descriptor: 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ...
Authors:Sijbesma, E, Leysen, S, Ottmann, C.
Deposit date:2017-02-14
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
5GLW
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BU of 5glw by Molmil
Tl-gal with LacNAc
Descriptor: beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin
Authors:Jang, S.B, Hwang, E.Y.
Deposit date:2016-07-12
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
6JLF
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BU of 6jlf by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae D179A mutation - HR
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2019-03-05
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6JEZ
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BU of 6jez by Molmil
Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
Descriptor: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Kojima, H, Yamamoto, K, Itoh, T.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
5GMM
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BU of 5gmm by Molmil
Crystal structure of human Carbonic anhydrase I in complex with polmacoxib
Descriptor: 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide, Carbonic anhydrase 1, ZINC ION
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649).
Biochem. Biophys. Res. Commun., 478, 2016
6TOM
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BU of 6tom by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
5H2H
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BU of 5h2h by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5NCL
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BU of 5ncl by Molmil
Crystal structure of the Cbk1-Mob2 kinase-coactivator complex with an SSD1 peptide
Descriptor: CBK1 kinase activator protein MOB2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein SSD1, ...
Authors:Gogl, G, Remenyi, A, Parker, B, Weiss, E.
Deposit date:2017-03-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
6JHB
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BU of 6jhb by Molmil
Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein
Authors:Qiu, X, Wei, Y, Zhu, W.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
5GKY
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BU of 5gky by Molmil
Structure of RyR1 in a closed state (C1 conformer)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION
Authors:Bai, X.C, Yan, Z, Wu, J.P, Yan, N.
Deposit date:2016-07-07
Release date:2016-08-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
7BBD
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BU of 7bbd by Molmil
Crystal structure of monoubiquitinated TRIM21 RING (Ub-RING) In complex with ubiquitin charged Ube2N (Ube2N~Ub) and Ube2V2
Descriptor: Polyubiquitin-B,E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Kiss, L, Neuhaus, D, James, L.C.
Deposit date:2020-12-17
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination.
Nat Commun, 12, 2021
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6T3Y
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BU of 6t3y by Molmil
Improved High Resolution Structure of MHC Class II complex
Descriptor: ACETATE ION, GLYCEROL, MHC class II alpha chain, ...
Authors:Halabi, S, Moncrieffe, M.C, Kaufman, J.
Deposit date:2019-10-11
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dominantly expressed class II molecule from a resistant MHC haplotype presents only a few Marek's disease virus peptides by using an unprecedented binding motif.
Plos Biol., 19, 2021
5GRH
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BU of 5grh by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+)
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ...
Authors:Ma, T, Peng, Y.
Deposit date:2016-08-11
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
6HFO
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BU of 6hfo by Molmil
Human Hsp90 co-chaperone TTC4 C-domain
Descriptor: PHOSPHATE ION, Tetratricopeptide repeat protein 4
Authors:Huber, E.M, Groll, M.
Deposit date:2018-08-21
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Co-chaperone Cns1 and the Recruiter Protein Hgh1 Link Hsp90 to Translation Elongation via Chaperoning Elongation Factor 2.
Mol.Cell, 74, 2019
5H3T
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BU of 5h3t by Molmil
m7G cap bound to GEMIN5-WD
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, Gem-associated protein 5
Authors:Bharath, S.R, Tang, X, Song, H.
Deposit date:2016-10-27
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.571 Å)
Cite:Structural basis for specific recognition of pre-snRNA by Gemin5
Cell Res., 26, 2016
7BVY
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BU of 7bvy by Molmil
Crystal structure of MreB 5 of Spiroplasma citri bound to AMPPNP
Descriptor: Cell shape determining protein MreB, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Pande, V, Gayathri, P.
Deposit date:2020-04-12
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma.
Curr.Biol., 30, 2020
7BXZ
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BU of 7bxz by Molmil
Crystal structure of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium
Descriptor: Aminoglycoside 6'-N-acetyltransferase
Authors:Kwon, S, Park, H.H.
Deposit date:2020-04-21
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural analysis of a novel substrate-free form of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium.
Acta Crystallogr.,Sect.F, 76, 2020

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PDB entries from 2024-08-28

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