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8E4W
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BU of 8e4w by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-19
Release date:2024-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
5EQV
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BU of 5eqv by Molmil
1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-MALATE, FE (III) ION, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-11-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site.
To Be Published
2VXO
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BU of 2vxo by Molmil
Human GMP synthetase in complex with XMP
Descriptor: GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P.
Deposit date:2008-07-08
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
7MR0
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BU of 7mr0 by Molmil
Cryo-EM structure of RecBCD with docked RecBNuc and flexible RecD
Descriptor: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
Authors:Hao, L, Zhang, R, Lohman, T.M.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
7M8Q
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BU of 7m8q by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
Deposit date:2021-03-30
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
1L5R
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BU of 1l5r by Molmil
Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
8EY9
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BU of 8ey9 by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with 9-hydroxy-10,12-octadecadienoyl-ethanolamide
Descriptor: (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide, Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
5V4G
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BU of 5v4g by Molmil
Ruthenium(II)(cymene)(chlorido)2-lysozyme adduct with two binding sites
Descriptor: Lysozyme C, PARA-CYMENE RUTHENIUM CHLORIDE, SODIUM ION
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2017-03-09
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography.
Chem. Commun. (Camb.), 53, 2017
8KGY
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BU of 8kgy by Molmil
Human glutamate dehydrogenase I
Descriptor: Glutamate dehydrogenase 1, mitochondrial
Authors:Su, M.-Y.
Deposit date:2023-08-20
Release date:2023-10-25
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8EWW
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BU of 8eww by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A
Descriptor: Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
5F9X
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BU of 5f9x by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 DEGREES
Descriptor: Cisplatin, GLYCEROL, Lysozyme C
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-10
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
1G65
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BU of 1g65 by Molmil
Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors
Descriptor: EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ...
Authors:Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C.
Deposit date:2000-11-03
Release date:2000-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors
J.Am.Chem.Soc., 122, 2000
6QWZ
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BU of 6qwz by Molmil
HEWL lysozyme, crystallized from KCl solution
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V.
Deposit date:2019-03-06
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:HEWL lysozyme, crystallized from different chlorides
To Be Published
7MR2
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BU of 7mr2 by Molmil
Cryo-EM structure of RecBCD with undocked RecBNuc and flexible RecD
Descriptor: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
Authors:Hao, L, Zhang, R, Lohman, T.M.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
5V5Z
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BU of 5v5z by Molmil
Structure of CYP51 from the pathogen Candida albicans
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
Deposit date:2017-03-15
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
7MR3
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BU of 7mr3 by Molmil
Cryo-EM structure of RecBCD-DNA complex with docked RecBNuc and stabilized RecD
Descriptor: DNA (60-MER), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
Authors:Hao, L, Zhang, R, Lohman, T.M.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
Descriptor: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
1RPN
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BU of 1rpn by Molmil
Crystal Structure of GDP-D-mannose 4,6-dehydratase in complexes with GDP and NADPH
Descriptor: GDP-mannose 4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Webb, N.A, Mulichak, A.M, Lam, J.S, Rocchetta, H.L, Garavito, R.M.
Deposit date:2003-12-03
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a tetrameric GDP-D-mannose 4,6-dehydratase from a bacterial GDP-D-rhamnose biosynthetic pathway.
Protein Sci., 13, 2004
6QY1
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BU of 6qy1 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
8C8R
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BU of 8c8r by Molmil
In situ structure of the Nitrosopumilus maritimus S-layer - Composite map between C2 and C6
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
6HN2
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BU of 6hn2 by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-13
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
5V7F
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BU of 5v7f by Molmil
T4 lysozyme Y18Ymi
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme
Authors:Carlsson, A.-C.C.
Deposit date:2017-03-20
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds.
Biochemistry, 57, 2018
7MR4
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BU of 7mr4 by Molmil
Cryo-EM structure of RecBCD-DNA complex with undocked RecBNuc and flexible RecD
Descriptor: DNA (60-MER), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
Authors:Hao, L, Zhang, R, Lohman, T.M.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
5V8X
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BU of 5v8x by Molmil
Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schormann, N, Ulett, G.C, Chattopadhyay, D.
Deposit date:2017-03-22
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
To Be Published
5INB
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BU of 5inb by Molmil
RepoMan-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex
Descriptor: Cell division cycle-associated protein 2, GLYCEROL, MALONATE ION, ...
Authors:Kumar, G.S, Peti, W, Page, R.
Deposit date:2016-03-07
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016

226414

數據於2024-10-23公開中

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