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8P43
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BU of 8p43 by Molmil
Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ...
Authors:Sala, B.M, Achour, A.
Deposit date:2023-05-19
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes
To Be Published
8P2Z
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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
5NDV
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BU of 5ndv by Molmil
Crystal structure of Paromomycin bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
Deposit date:2017-03-09
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NDA
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BU of 5nda by Molmil
NMR Structural Characterisation of Pharmaceutically Relevant Proteins Obtained Through a Novel Recombinant Production: The Case of The Pulmonary Surfactant Polypeptide C Analogue rSP-C33Leu.
Descriptor: rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-
Authors:Venturi, L, Pioselli, B, Johansson, J, Rising, A, Kronqvist, N, Nordling, K.
Deposit date:2017-03-08
Release date:2017-06-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Efficient protein production inspired by how spiders make silk.
Nat Commun, 8, 2017
5N6R
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BU of 5n6r by Molmil
Solution structure of the Dbl-homology domain of Bcr-Abl
Descriptor: Breakpoint cluster region protein
Authors:Reckel, S, Lohr, F, Buchner, L, Guntert, P, Dotsch, V, Hantschel, O.
Deposit date:2017-02-16
Release date:2017-12-27
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
5O4C
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BU of 5o4c by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Dods, R, Baath, P, Branden, G, Neutze, R.
Deposit date:2017-05-28
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
5O56
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BU of 5o56 by Molmil
Glycogen Phosphorylase b in complex with 29b
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
Authors:Solovou, T.G.A, Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-05-31
Release date:2017-09-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
8Q7R
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BU of 8q7r by Molmil
Ubiquitin ligation to substrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2~donor UB-Sil1 peptide
Descriptor: 5-azanyl-1-oxidanyl-pentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-02-21
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting.
Mol.Cell, 84, 2024
8QFY
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BU of 8qfy by Molmil
Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2023-09-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 121, 2024
8Q7C
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BU of 8q7c by Molmil
Cryo-EM structure of Adenovirus C5 hexon
Descriptor: Hexon protein
Authors:Zoll, S, Dhillon, A.
Deposit date:2023-08-16
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.
J.Virol., 98, 2024
6K42
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BU of 6k42 by Molmil
cryo-EM structure of alpha2BAR-Gi1 complex
Descriptor: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
Deposit date:2019-05-23
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
1AU9
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BU of 1au9 by Molmil
SUBTILISIN BPN' MUTANT 8324 IN CITRATE
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN BPN', ...
Authors:Whitlow, M, Howard, A.J, Wood, J.F.
Deposit date:1997-09-12
Release date:1997-12-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
1LCL
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BU of 1lcl by Molmil
CHARCOT-LEYDEN CRYSTAL PROTEIN
Descriptor: LYSOPHOSPHOLIPASE
Authors:Acharya, K.R, Leonidas, D.D.
Deposit date:1996-01-18
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Charcot-Leyden crystal protein, an eosinophil lysophospholipase, identifies it as a new member of the carbohydrate-binding family of galectins.
Structure, 3, 1995
5I0U
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BU of 5i0u by Molmil
Incompletely interpreted D-cysteine soak of Cysteine Dioxygenase at pH 7.0
Descriptor: Cysteine dioxygenase type 1, D-CYSTEINE, FE (III) ION
Authors:Kean, K.M, Driggers, C.M, Karplus, P.A.
Deposit date:2016-02-04
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
5I3Y
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BU of 5i3y by Molmil
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9
Descriptor: Beta-secretase 1, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
5I3W
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BU of 5i3w by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
2D4N
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BU of 2d4n by Molmil
Crystal Structure of M-PMV dUTPase complexed with dUPNPP, substrate analogue
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DU, ...
Authors:Nemeth, V, Barabas, O, Vertessy, G.B.
Deposit date:2005-10-20
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Flexible segments modulate co-folding of dUTPase and nucleocapsid proteins.
Nucleic Acids Res., 35, 2007
7ADH
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BU of 7adh by Molmil
THREE-DIMENSIONAL STRUCTURE OF ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE
Descriptor: ISONICOTINAMIDINE, ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE, ZINC ION
Authors:Plapp, B, Eklund, H.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Three-dimensional structure of isonicotinimidylated liver alcohol dehydrogenase.
J.Biol.Chem., 258, 1983
5I5Z
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BU of 5i5z by Molmil
CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2016-02-15
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
7N3U
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BU of 7n3u by Molmil
Crystal structure of human WEE1 kinase domain in complex with ZN-c3
Descriptor: 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Lee, C.C.
Deposit date:2021-06-02
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5E2L
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BU of 5e2l by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with D-phenylalanine
Descriptor: 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, CHLORIDE ION, D-PHENYLALANINE, ...
Authors:Reichau, S, Jiao, W, Parker, E.J.
Deposit date:2015-10-01
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids.
Plos One, 11, 2016
6ADH
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BU of 6adh by Molmil
STRUCTURE OF TRICLINIC TERNARY COMPLEX OF HORSE LIVER ALCOHOL DEHYDROGENASE AT 2.9 ANGSTROMS RESOLUTION
Descriptor: DIMETHYL SULFOXIDE, HOLO-LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Eklund, H.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 A resolution.
J.Mol.Biol., 146, 1981
5DVZ
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BU of 5dvz by Molmil
Holo TrpB from Pyrococcus furiosus
Descriptor: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-21
Release date:2016-02-03
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
7NPI
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BU of 7npi by Molmil
Crystal structure of Mindy2 (C266A) in complex with Lys48-linked penta-ubiquitin (K48-Ub5)
Descriptor: CHLORIDE ION, Polyubiquitin-C, SODIUM ION, ...
Authors:Lange, S.M, Armstrong, L.A, Kulathu, Y.
Deposit date:2021-02-26
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
2D5F
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BU of 2d5f by Molmil
Crystal Structure of Recombinant Soybean Proglycinin A3B4 subunit, its Comparison with Mature Glycinin A3B4 subunit, Responsible for Hexamer Assembly
Descriptor: CARBONATE ION, MAGNESIUM ION, glycinin A3B4 subunit
Authors:Itoh, T, Adachi, M, Masuda, T, Mikami, B, Utsumi, S.
Deposit date:2005-11-01
Release date:2006-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 2010

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數據於2024-07-17公開中

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