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6JGZ
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BU of 6jgz by Molmil
Structure of RyR2 (F/P/Ca2+ dataset)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ZINC ION
Authors:Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
Deposit date:2019-02-16
Release date:2019-12-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JK4
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BU of 6jk4 by Molmil
Ca2+-dependent type II antifreeze protein
Descriptor: CALCIUM ION, Type II antifreeze protein
Authors:Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y.
Deposit date:2019-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Calcium-Binding Generates the Semi-Clathrate Waters on a Type II Antifreeze Protein to Adsorb onto an Ice Crystal Surface.
Biomolecules, 9, 2019
6JKB
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BU of 6jkb by Molmil
Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6JIG
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BU of 6jig by Molmil
Crystal structure of GMP reductase C318A from Trypanosoma brucei in complex with guanosine 5'-monophosphate
Descriptor: GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
Authors:Mase, H, Imamura, A, Nishimura, S, Inui, T.
Deposit date:2019-02-21
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
3CKW
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BU of 3ckw by Molmil
Crystal structure of sterile 20-like kinase 3 (MST3, STK24)
Descriptor: MERCURY (II) ION, Serine/threonine-protein kinase 24
Authors:Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-17
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of sterile 20-like kinase 3 (MST3, STK24).
To be Published
6JIO
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BU of 6jio by Molmil
Human LXR-beta in complex with a ligand
Descriptor: Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-02-22
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-24
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JKI
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BU of 6jki by Molmil
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ...
Authors:Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
Deposit date:2019-03-01
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
4K1P
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BU of 4k1p by Molmil
Structure of the NheA component of the Nhe toxin from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, NheA, SULFATE ION
Authors:Ganash, M, Phung, D, Artymiuk, P.J.
Deposit date:2013-04-05
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the NheA Component of the Nhe Toxin from Bacillus cereus: Implications for Function.
Plos One, 8, 2013
3CI1
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BU of 3ci1 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2008-03-10
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
6JL4
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BU of 6jl4 by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl aspartate (CA) and phosphate (Pi)
Descriptor: ASPARTIC ACID, Aspartate carbamoyltransferase, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JME
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BU of 6jme by Molmil
Crystal structure of human DHODH in complex with inhibitor 0946
Descriptor: 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Yu, Y, Chen, Q.
Deposit date:2019-03-08
Release date:2020-03-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
6JMK
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BU of 6jmk by Molmil
Ribosomal protein S7 from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 30S ribosomal protein S7, GLYCEROL
Authors:Li, Z, Li, J.
Deposit date:2019-03-11
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the complex of trigger factor chaperone and ribosomal protein S7 from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 512, 2019
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
Descriptor: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
Authors:Baburajendran, N, Hill, J.
Deposit date:2019-03-06
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
3CJ4
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BU of 3cj4 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Antonysamy, s.s.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6JLY
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BU of 6jly by Molmil
eIF2a - eIF2B complex
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2019-03-07
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
6JMV
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BU of 6jmv by Molmil
Crystal structure of the GluK3 ligand binding domain complex with SYM and zinc
Descriptor: 2S,4R-4-METHYLGLUTAMATE, ACETATE ION, CHLORIDE ION, ...
Authors:Kumari, J, Kumar, J.
Deposit date:2019-03-13
Release date:2019-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.832 Å)
Cite:Structural and Functional Insights into GluK3-kainate Receptor Desensitization and Recovery.
Sci Rep, 9, 2019
6JML
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BU of 6jml by Molmil
Re-refined structure of R-state L-lactate dehydrogenase fromLactobacillus casei
Descriptor: L-lactate dehydrogenase, SULFATE ION
Authors:Arai, K, Miyanaga, A, Uchikoba, H, Fushinobu, S, Taguchi, H.
Deposit date:2019-03-12
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of penta mutant of L-lactate dehydrogenase from Lactobacillus casei
To Be Published
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
Descriptor: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JE1
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BU of 6je1 by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 40 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6JNH
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BU of 6jnh by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
Descriptor: ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SODIUM ION, ...
Authors:Iqbal, N, Gupta, A, Sharm, P, Singh, T.P.
Deposit date:2019-03-14
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
To Be Published
6JNM
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BU of 6jnm by Molmil
REF6 ZnF2-4-NAC004-mC3 complex
Descriptor: DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*TP*(5CM)P*TP*GP*TP*TP*TP*TP*G)-3'), Lysine-specific demethylase REF6, ...
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2019-03-17
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA methylation repels targeting of Arabidopsis REF6.
Nat Commun, 10, 2019
6JEL
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BU of 6jel by Molmil
Structure of Phytolacca americana apo UGT2
Descriptor: Glycosyltransferase
Authors:Maharjan, R, Fukuda, Y, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T.
Deposit date:2019-02-06
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Biochemistry, 59, 2020
6JEX
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BU of 6jex by Molmil
K4U bound crystal peptide deformylase from Acinetobacter baumanii
Descriptor: L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE, Peptide deformylase, ZINC ION
Authors:Lee, I.H, Ho, T.H, Kang, L.W.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:K4U bound crystal peptide deformylase from Acinetobacter baumanii
To be published

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数据于2024-10-16公开中

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