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4XQG
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BU of 4xqg by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) variant E237Q from Blastochloris viridis in Complex with NAD.
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, AGMATINE, ...
Authors:Krossa, S.
Deposit date:2015-01-19
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
6SM0
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BU of 6sm0 by Molmil
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
Descriptor: Green fluorescent protein, OXYGEN MOLECULE, SULFATE ION, ...
Authors:Rizkallah, P.J, Al Maslookhi, H.S, Jones, D.D.
Deposit date:2019-08-21
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step.
Chem Sci, 12, 2021
6SJH
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BU of 6sjh by Molmil
Structure of the PRY-SPRY domain of human Trim16L/Trim70
Descriptor: Tripartite motif-containing protein 16-like protein
Authors:Mikkelsen, J.H, Andersen, C.B.F.
Deposit date:2019-08-13
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the PRY-SPRY domain of human Trim16L/Trim70
To Be Published
5GZU
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BU of 5gzu by Molmil
Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery
Descriptor: Chitinase, PHOSPHATE ION
Authors:Itoh, T, Hibi, T, Suzuki, F, Sugimoto, I, Fujiwara, A, Inaka, K, Tanaka, H, Ohta, K, Fujii, Y, Taketo, A, Kimoto, H.
Deposit date:2016-10-01
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery
PLoS ONE, 11, 2016
4XX0
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BU of 4xx0 by Molmil
CoA bound to pig GTP-specific succinyl-CoA synthetase
Descriptor: COENZYME A, GLYCEROL, PHOSPHATE ION, ...
Authors:Fraser, M.E, Huang, J, Malhi, M.
Deposit date:2015-01-29
Release date:2015-08-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of GTP-specific succinyl-CoA synthetase in complex with CoA.
Acta Crystallogr.,Sect.F, 71, 2015
5N1I
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BU of 5n1i by Molmil
unliganded form of the Mycobacterium tuberculosis repressor EthR2
Descriptor: Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2017-02-06
Release date:2017-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
4XZF
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BU of 4xzf by Molmil
Crystal structure of HIRAN domain of human HLTF in complex with DNA
Descriptor: (DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DG)(DT)(DG)(DC)(DC), Helicase-like transcription factor
Authors:Hishiki, A, Hashimoto, H.
Deposit date:2015-02-04
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance
J.Biol.Chem., 290, 2015
6SDW
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BU of 6sdw by Molmil
Solution structure of Staufen1 dsRBD3+4 - hARF1 SBS dsRNA complex.
Descriptor: Double-stranded RNA-binding protein Staufen homolog 1, hARF1 SBS dsRNA
Authors:Yadav, D.K, Lukavsky, P.J.
Deposit date:2019-07-29
Release date:2020-01-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Staufen1 reads out structure and sequence features in ARF1 dsRNA for target recognition.
Nucleic Acids Res., 48, 2020
4YF5
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BU of 4yf5 by Molmil
Crystal structure of Rv1284 in the presence of polycarpine at acidic pH
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, ZINC ION
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
5N2A
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BU of 5n2a by Molmil
METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM
Descriptor: 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ...
Authors:Wagner, T, Wegner, C.E, Ermler, U, Shima, S.
Deposit date:2017-02-07
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
6T29
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BU of 6t29 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
Authors:Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-08
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
5NFQ
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BU of 5nfq by Molmil
Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
Authors:Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
5N4A
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BU of 5n4a by Molmil
Crystal structure of Chlamydomonas IFT80
Descriptor: GLYCEROL, Intraflagellar transport protein 80, OXALATE ION
Authors:Taschner, M, Mourao, A.
Deposit date:2017-02-10
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of intraflagellar transport protein 80 reveals a homo-dimer required for ciliogenesis.
Elife, 7, 2018
6J84
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BU of 6j84 by Molmil
Crystal structure of TleB with hydroxyl analog
Descriptor: (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nakamura, H, Mori, T, Abe, I.
Deposit date:2019-01-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
5N5T
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BU of 5n5t by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2
Descriptor: 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE 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 (1.8 Å)
Cite:Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
6J8J
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BU of 6j8j by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
Descriptor: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shen, H, Liu, D, Lei, J, Yan, N.
Deposit date:2019-01-19
Release date:2019-02-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
5N6B
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BU of 5n6b by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Fuller, A, Bulek, A.M, Bovay, A.
Deposit date:2017-02-14
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:T cell receptor alpha variable 12-2 bias in the immunodominant response to Yellow fever virus.
Eur. J. Immunol., 48, 2018
5H2J
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BU of 5h2j by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 290 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
7AUG
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BU of 7aug by Molmil
Crystal structure of rsGCamP1.3 in the ON state
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ...
Authors:Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
Deposit date:2020-11-03
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
5NJY
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BU of 5njy by Molmil
X-ray structure of the H235Q mutant of GLIC
Descriptor: Proton-gated ion channel
Authors:Hu, H, Fourati, Z, Delarue, M.
Deposit date:2017-03-30
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:X-ray structure of the H235Q mutant of GLIC
To Be Published
5GVE
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BU of 5gve by Molmil
Human TOP3B-TDRD3 complex
Descriptor: DNA topoisomerase 3-beta-1, MAGNESIUM ION, Tudor domain-containing protein 3
Authors:Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
Deposit date:2016-09-05
Release date:2017-06-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.606 Å)
Cite:Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
4Y9S
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BU of 4y9s by Molmil
structure of an H300N mutant of potato epoxide hydrolase, StEH1
Descriptor: Epoxide hydrolase
Authors:Naworyta, A, Mowbray, S.L, Widersten, M.
Deposit date:2015-02-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.
ACS Catal, 5, 2015
4YT4
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BU of 4yt4 by Molmil
Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
5N9S
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BU of 5n9s by Molmil
TTK kinase domain in complex with BAY 1161909
Descriptor: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK
Authors:Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017

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