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6QW1
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BU of 6qw1 by Molmil
The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
Authors:Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2019-03-05
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
4YL0
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BU of 4yl0 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
Descriptor: 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
Deposit date:2015-03-04
Release date:2015-06-10
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
6QPC
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BU of 6qpc by Molmil
Cryo-EM structure of calcium-bound mTMEM16F lipid scramblase in nanodisc
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION
Authors:Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C.
Deposit date:2019-02-13
Release date:2019-03-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
5OE8
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BU of 5oe8 by Molmil
Structure of large terminase from the thermophilic bacteriophage D6E (Crystal form 2)
Descriptor: CHLORIDE ION, Large subunit terminase
Authors:Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A.
Deposit date:2017-07-07
Release date:2017-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Nucleic Acids Res., 45, 2017
5OAR
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BU of 5oar by Molmil
Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
Authors:Skerlova, J, Rezacova, P, Brynda, J, Pachl, P, Otwinowski, Z, Vanek, O.
Deposit date:2017-06-23
Release date:2017-12-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide.
FEBS J., 285, 2018
6QWG
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BU of 6qwg by Molmil
Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Ebrahim, A, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L.
Deposit date:2019-03-05
Release date:2019-11-20
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
5LK5
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BU of 5lk5 by Molmil
Crystal structure of the globular domain of human calreticulin mutant D71K
Descriptor: CALCIUM ION, CHLORIDE ION, Calreticulin,Calreticulin
Authors:Gaboriaud, C, Cioci, G.
Deposit date:2016-07-21
Release date:2016-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties.
IUCrJ, 3, 2016
7VB2
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BU of 7vb2 by Molmil
Solution structure of human ribosomal protein uL11
Descriptor: 60S ribosomal protein L12
Authors:Lee, K.M, Wong, K.B.
Deposit date:2021-08-30
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The flexible N-terminal motif of uL11 unique to eukaryotic ribosomes interacts with P-complex and facilitates protein translation.
Nucleic Acids Res., 50, 2022
6NFC
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BU of 6nfc by Molmil
BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP42 fragmentantigen binding and base-binding RM20A3 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP42 fragment antigen binding heavy chain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2018-12-19
Release date:2019-11-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
7EA8
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BU of 7ea8 by Molmil
Human SETD2 bound to a nucleosome containing oncohistone mutations
Descriptor: 601-DNA, Histone H2A type 1-D, Histone H2B type 2-E, ...
Authors:Jing, H, Liu, Y.
Deposit date:2021-03-06
Release date:2021-07-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of SETD2/Set2 methyltransferase bound to a nucleosome containing oncohistone mutations.
Cell Discov, 7, 2021
6T8D
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BU of 6t8d by Molmil
The cytotoxin MakB from Vibrio cholerae
Descriptor: MakB, SULFATE ION
Authors:Persson, K, Nagampalli, R.
Deposit date:2019-10-24
Release date:2020-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A tripartite cytolytic toxin formed by Vibrio cholerae proteins with flagellum-facilitated secretion.
Proc.Natl.Acad.Sci.USA, 118, 2021
3ZM3
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BU of 3zm3 by Molmil
Catalytic domain of human SHP2
Descriptor: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11
Authors:Bohm, K, Schuetz, A, Roske, Y, Heinemann, U.
Deposit date:2013-02-04
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
7SQF
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BU of 7sqf by Molmil
Structure of the human proton-activated chloride channel ASOR in activated conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel
Authors:Long, S.B, Wang, C, Delgado, B.
Deposit date:2021-11-05
Release date:2022-02-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Gating choreography and mechanism of the human proton-activated chloride channel ASOR.
Sci Adv, 8, 2022
7Z97
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BU of 7z97 by Molmil
Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole
Descriptor: 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
6DWF
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BU of 6dwf by Molmil
Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin
Descriptor: Cationic trypsin, Kunitz-type inihibitor
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2018-06-26
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
5OEY
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BU of 5oey by Molmil
Crystal structure of Leishmania major fructose-1,6-bisphosphatase in holo form.
Descriptor: CITRIC ACID, FBP protein, MANGANESE (II) ION, ...
Authors:Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2017-07-10
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
6QPP
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BU of 6qpp by Molmil
Rhizomucor miehei lipase propeptide complex, native
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase
Authors:Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S.
Deposit date:2019-02-14
Release date:2019-03-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme.
Acs Omega, 4, 2019
5OF8
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BU of 5of8 by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5I7O
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BU of 5i7o by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 7 [3-(3-(4-Chlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
6QPR
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BU of 6qpr by Molmil
Rhizomucor miehei lipase propeptide complex, Ser95/Ile96 deletion mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase
Authors:Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S.
Deposit date:2019-02-14
Release date:2019-03-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme.
Acs Omega, 4, 2019
3ZVA
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BU of 3zva by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
Descriptor: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
7EIN
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BU of 7ein by Molmil
SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin
Descriptor: 3C-like proteinase, leupeptin
Authors:Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F.
Deposit date:2021-03-31
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs.
Mbio, 12, 2021
6QPS
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BU of 6qps by Molmil
Structural characterization of a mannuronic acid specific polysaccharide family 6 lyase enzyme from human gut microbiota
Descriptor: ACETATE ION, CALCIUM ION, Polysaccharide Lyase Family 6
Authors:Fredslund, F, Stender, E.G.P, Svensson, B, Welner, D.H.
Deposit date:2019-02-14
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.287 Å)
Cite:Structural and functional aspects of mannuronic acid-specific PL6 alginate lyase from the human gut microbeBacteroides cellulosilyticus.
J.Biol.Chem., 294, 2019
5OFD
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BU of 5ofd by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018

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