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6CFJ
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BU of 6cfj by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
5IDL
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BU of 5idl by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
Authors:Julien, J.P, Ereno-Orbea, J, Jardine, J.G, Schief, W.R, Wilson, I.A.
Deposit date:2016-02-24
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
6CNL
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BU of 6cnl by Molmil
Crystal Structure of H105A PGAM5 Dodecamer
Descriptor: MAGNESIUM ION, PGAM5 Multimerization Motif Peptide, Serine/threonine-protein phosphatase PGAM5, ...
Authors:Ruiz, K, Agnew, C, Jura, N.
Deposit date:2018-03-08
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional role of PGAM5 multimeric assemblies and their polymerization into filaments.
Nat Commun, 10, 2019
7B9H
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BU of 7b9h by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
Descriptor: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
Authors:Torretta, A, Abbate, S, Parisini, E.
Deposit date:2020-12-14
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
7BOI
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BU of 7boi by Molmil
Bacterial 30S ribosomal subunit assembly complex state F (multibody refinement for body domain of 30S ribosome)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
5IES
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BU of 5ies by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.16 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
7BOF
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BU of 7bof by Molmil
Bacterial 30S ribosomal subunit assembly complex state I (body domain)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7BMH
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BU of 7bmh by Molmil
Crystal structure of a light-driven proton pump LR (Mac) from Leptosphaeria maculans
Descriptor: EICOSANE, OLEIC ACID, Opsin
Authors:Kovalev, K, Zabelskii, D, Dmitrieva, N, Volkov, O, Shevchenko, V, Astashkin, R, Zinovev, E, Gordeliy, V.
Deposit date:2021-01-20
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based insights into evolution of rhodopsins.
Commun Biol, 4, 2021
7BOG
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BU of 7bog by Molmil
Bacterial 30S ribosomal subunit assembly complex state E (body domain)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7BOD
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BU of 7bod by Molmil
Bacterial 30S ribosomal subunit assembly complex state M (body domain)
Descriptor: 16S rRNA (body domain of 30S subunit), 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
2MSC
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BU of 2msc by Molmil
NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
Deposit date:2014-07-29
Release date:2015-06-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
6CEA
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BU of 6cea by Molmil
Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEE
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BU of 6cee by Molmil
Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
5INR
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BU of 5inr by Molmil
A C69-family cysteine dipeptidase in complex with Ala-Pro from Lactobacillus farciminis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ALANINE, ...
Authors:Kono, R, Watanabe, K.
Deposit date:2016-03-07
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
To Be Published
5IPI
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BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
2MZI
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BU of 2mzi by Molmil
NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, ...
Authors:Prior, S.H, Van Doren, S.R.
Deposit date:2015-02-12
Release date:2016-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors.
Structure, 23, 2015
5I1Z
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BU of 5i1z by Molmil
Structure of nvPizza2-H16S58
Descriptor: SULFATE ION, nvPizza2-H16S58
Authors:Tame, J.R.H, Voet, A.R.D.
Deposit date:2016-02-07
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Broken Symmetry: Partial domain swapping in an artificial trimeric protein
To Be Published
7BCQ
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BU of 7bcq by Molmil
ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation.
Descriptor: 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
6C4J
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BU of 6c4j by Molmil
Ligand bound full length hUGDH with A104L substitution
Descriptor: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-1,2-PROPANEDIOL, ...
Authors:Beattie, N.R, Pioso, B.J, Wood, Z.A, Sidlo, A.M.
Deposit date:2018-01-12
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Hysteresis and Allostery in Human UDP-Glucose Dehydrogenase Require a Flexible Protein Core.
Biochemistry, 57, 2018
7BCT
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BU of 7bct by Molmil
ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation.
Descriptor: Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BCS
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BU of 7bcs by Molmil
ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation.
Descriptor: (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0)
Authors:Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A.
Deposit date:2020-12-21
Release date:2021-09-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
6BZ5
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BU of 6bz5 by Molmil
Structure and mechanism of salicylate hydroxylase from Pseudomonas putida G7
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
Authors:Nagem, R.A.P, Costa, D.M.A.
Deposit date:2017-12-22
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Catalytic mechanism for the conversion of salicylate into catechol by the flavin-dependent monooxygenase salicylate hydroxylase.
Int.J.Biol.Macromol., 129, 2019
7BMK
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BU of 7bmk by Molmil
ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs
Descriptor: 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J.
Deposit date:2021-01-20
Release date:2021-09-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
7BKB
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BU of 7bkb by Molmil
Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (hexameric, composite structure)
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ...
Authors:Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J.
Deposit date:2021-01-15
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Science, 373, 2021
7BKC
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BU of 7bkc by Molmil
Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (dimeric, composite structure)
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ...
Authors:Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J.
Deposit date:2021-01-15
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Science, 373, 2021

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數據於2024-10-02公開中

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