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6F8A
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BU of 6f8a by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine
Descriptor: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6SV0
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BU of 6sv0 by Molmil
Non-terahertz irradiated structure of bovine trypsin (odd frames of crystal x37)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G.
Deposit date:2019-09-17
Release date:2020-01-22
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties.
Sci Rep, 9, 2019
7RY7
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BU of 7ry7 by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasmepsin X
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-08-24
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of plasmepsin X from Plasmodium falciparum reveal a novel inactivation mechanism of the zymogen and molecular basis for binding of inhibitors in mature enzyme.
Protein Sci., 31, 2022
6SV8
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BU of 6sv8 by Molmil
Terahertz irradiated structure of bovine trypsin (odd frames of crystal x38)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G.
Deposit date:2019-09-18
Release date:2020-01-22
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties.
Sci Rep, 9, 2019
4ZK3
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BU of 4zk3 by Molmil
Psoriasis pathogenesis - Pso p27 constitute a compact structure forming large aggregates. Low pH structure
Descriptor: Serpin B3
Authors:Helland, R, Lysvand, H, Slupphaug, G, Iversen, O.J.
Deposit date:2015-04-29
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Psoriasis pathogenesis - Pso p27 constitutes a compact structure forming large aggregates.
Biochem Biophys Rep, 2, 2015
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
7Q5W
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BU of 7q5w by Molmil
The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The tandem SH2 domains of SYK
To Be Published
7Q63
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BU of 7q63 by Molmil
The tandem SH2 domains of SYK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-05
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The tandem SH2 domains of SYK
To Be Published
6FLH
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BU of 6flh by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form
Descriptor: GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Yang, F, Logan, D, Oliveberg, M.
Deposit date:2018-01-25
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
5UMB
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BU of 5umb by Molmil
Crystal structure of ATPase domain of Malaria GRP78 with ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone DnaK, MAGNESIUM ION, ...
Authors:Chen, Y, Antoshchenko, T, Pizarro, J.C, Song, J.H, Park, H.
Deposit date:2017-01-26
Release date:2022-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Repurposing drugs to target the malaria parasite unfolding protein response.
Sci Rep, 8, 2018
6SQV
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BU of 6sqv by Molmil
Structure of the U1A variant A1-98 Y31H/Q36R/R70W
Descriptor: SULFATE ION, U1 small nuclear ribonucleoprotein A
Authors:Rosenbach, H, Span, I.
Deposit date:2019-09-04
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
6SWV
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BU of 6swv by Molmil
Trypsin fast data collection
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:von Stetten, D, Mueller-Dieckmann, C.
Deposit date:2019-09-24
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
6SR2
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BU of 6sr2 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 37 fs time delay
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-04
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
4ZLO
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BU of 4zlo by Molmil
Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1
Descriptor: 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1
Authors:Bellamacina, C.R, Bussiere, D.E.
Deposit date:2015-05-01
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
6SR6
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BU of 6sr6 by Molmil
Crystal structure of the RAC core with a pseudo substrate bound to Ssz1 SBD
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative heat shock protein, ...
Authors:Valentin Gese, G, Lapouge, K, Kopp, J, Sinning, I.
Deposit date:2019-09-05
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ribosome-associated complex RAC serves in a relay that directs nascent chains to Ssb.
Nat Commun, 11, 2020
6STS
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BU of 6sts by Molmil
Human myelin protein P2 mutant R30Q
Descriptor: Myelin P2 protein, PALMITIC ACID, SULFATE ION
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2019-09-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6SUY
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BU of 6suy by Molmil
Yeast cytochrome c in complex with an octa-anionic calix[4]arene
Descriptor: Cytochrome c iso-1, HEME C, SODIUM ION, ...
Authors:Alex, J.M, Crowley, P.B.
Deposit date:2019-09-17
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene.
Org.Biomol.Chem., 18, 2020
6FA0
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BU of 6fa0 by Molmil
Lysozyme crystallized in presence of 100 mM ammonium sulphate at pH 4.5
Descriptor: CHLORIDE ION, Lysozyme C, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-12-15
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
4NKY
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BU of 4nky by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
5V5X
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BU of 5v5x by Molmil
Protocadherin gammaB7 EC3-6 cis-dimer structure
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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2017-03-15
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6SVA
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BU of 6sva by Molmil
Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R.
Deposit date:2019-09-18
Release date:2019-11-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
6T0K
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BU of 6t0k by Molmil
Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole
Descriptor: CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
6FAX
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BU of 6fax by Molmil
Complex of Human CD40 Ectodomain with Lob 7.4 Fab
Descriptor: Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5
Authors:Orr, C.M, Tews, I, Pearson, A.R.
Deposit date:2017-12-18
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies.
Cancer Cell, 33, 2018
6SY9
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BU of 6sy9 by Molmil
Structure of the Legionella pneumophila response regulator LqsR
Descriptor: Response regulator
Authors:Hochstrasser, R, Hutter, C.A.J, Arnold, F.M, Baerlocher, K, Seeger, M.A, Hilbi, H.
Deposit date:2019-09-27
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the Legionella response regulator LqsR reveals amino acids critical for phosphorylation and dimerization.
Mol.Microbiol., 113, 2020

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數據於2024-09-11公開中

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