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4URK
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BU of 4urk by Molmil
PI3Kg in complex with AZD6482
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Giordanetto, F, Barlaam, B, Berglund, S, Edman, K, Karlsson, O, Lindberg, J, Nylander, S, Inghardt, T.
Deposit date:2014-06-30
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents.
Bioorg.Med.Chem.Lett., 24, 2014
8RGK
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BU of 8rgk by Molmil
Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution
Descriptor: 1,2-ETHANEDIOL, 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ...
Authors:Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G.
Deposit date:2023-12-13
Release date:2024-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
J.Biol.Chem., 300, 2024
5DDF
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BU of 5ddf by Molmil
Menin in complex with MI-273
Descriptor: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5DDS
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BU of 5dds by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP
Descriptor: ACETIC ACID, CrmG, GLYCEROL, ...
Authors:Xu, J, Feng, Z, Liu, J.
Deposit date:2015-08-25
Release date:2016-08-10
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
5DEK
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BU of 5dek by Molmil
RNA octamer containing dT
Descriptor: COBALT HEXAMMINE(III), RNA oligonucleotide containing dT
Authors:Harp, J.M, Egli, M.
Deposit date:2015-08-25
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
7RPH
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BU of 7rph by Molmil
Cryo-EM structure of murine Dispatched 'R' conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
5DEN
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BU of 5den by Molmil
The First Structure of a Full-Length Mammalian Phenylalanine Hydroxylase Reveals the Architecture of an Auto-inhibited Tetramer
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Arturo, E.C, Loll, P.J, Jaffe, E.K.
Deposit date:2015-08-25
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:First structure of full-length mammalian phenylalanine hydroxylase reveals the architecture of an autoinhibited tetramer.
Proc.Natl.Acad.Sci.USA, 113, 2016
6ZGZ
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BU of 6zgz by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
7RN6
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BU of 7rn6 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
Descriptor: 1,2-ETHANEDIOL, 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-29
Release date:2021-11-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
To Be Published
4V49
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BU of 4v49 by Molmil
Crystal Structure of a Streptomycin Dependent Ribosome from E. Coli 70S Ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D.
Deposit date:2003-06-13
Release date:2014-07-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (8.7 Å)
Cite:X-ray Crystal Structures of the WT and a Hyper-Accurate Ribosome From Escherichia Coli
Proc.Natl.Acad.Sci.USA, 100, 2003
4V4S
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BU of 4v4s by Molmil
Crystal structure of the whole ribosomal complex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V.
Deposit date:2005-10-12
Release date:2014-07-09
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (6.76 Å)
Cite:Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon.
Cell(Cambridge,Mass.), 123, 2005
5D5V
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BU of 5d5v by Molmil
Crystal structure of human Hsf1 with Satellite III repeat DNA
Descriptor: DNA, Heat shock factor protein 1, MAGNESIUM ION
Authors:Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
Deposit date:2015-08-11
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
5D66
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BU of 5d66 by Molmil
Crystal structure of an ankyrin repeat domain (ABAYE2397) from Acinetobacter baumannii AYE at 1.00 A resolution
Descriptor: CHLORIDE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2015-08-11
Release date:2015-09-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of an ankyrin repeat domain (ABAYE2397) from Acinetobacter baumannii AYE at 1.00 A resolution
To be published
4V5N
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BU of 4v5n by Molmil
tRNA translocation on the 70S ribosome: the post- translocational translocation intermediate TI(POST)
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T.
Deposit date:2010-10-21
Release date:2014-07-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites.
Nature, 468, 2010
4V62
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BU of 4v62 by Molmil
Crystal Structure of cyanobacterial Photosystem II
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Guskov, A, Gabdulkhakov, A, Kern, J, Broser, M, Zouni, A, Saenger, W.
Deposit date:2008-01-17
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cyanobacterial photosystem II at 2.9-A resolution and the role of quinones, lipids, channels and chloride
Nat.Struct.Mol.Biol., 16, 2009
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
Descriptor: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Orth, P.
Deposit date:2021-09-10
Release date:2021-11-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.272 Å)
Cite:A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
5XJY
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BU of 5xjy by Molmil
Cryo-EM structure of human ABCA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette sub-family A member 1, ...
Authors:Qian, H.W, Yan, N, Gong, X.
Deposit date:2017-05-04
Release date:2017-06-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the Human Lipid Exporter ABCA1.
Cell, 169, 2017
4V65
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BU of 4v65 by Molmil
Structure of the E. coli ribosome in the Pre-accommodation state
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Devkota, B, Caulfield, T.R, Tan, R.-Z, Harvey, S.C.
Deposit date:2008-08-03
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9 Å)
Cite:The Structure of the E. coli Ribosome Before and After Accommodation: Implications for Proofreading
To be Published
4V5R
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BU of 4v5r by Molmil
The crystal structure of EF-Tu and Trp-tRNA-Trp bound to a cognate codon on the 70S ribosome.
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V.
Deposit date:2010-12-07
Release date:2014-07-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Nat.Struct.Mol.Biol., 18, 2011
5XSX
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BU of 5xsx by Molmil
Crystal structure of an archaeal chitinase in the substrate-complex form (P212121)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, GLYCEROL, ...
Authors:Nishitani, Y, Miki, K.
Deposit date:2017-06-15
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
4V78
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BU of 4v78 by Molmil
E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate post-translocation state (post3a)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H.
Deposit date:2013-10-14
Release date:2014-07-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
7RP0
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BU of 7rp0 by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ...
Authors:Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I.
Deposit date:2021-08-02
Release date:2021-10-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
5D6Y
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BU of 5d6y by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A complexed with histone H3K23me3
Descriptor: Lysine-specific demethylase 4A, peptide H3K23me3 (19-28)
Authors:Wang, F, Su, Z, Miller, M.D, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2016-02-10
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
7RZ4
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BU of 7rz4 by Molmil
Structure of the complex of AMPA receptor GluA2 with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK 200775
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2, ...
Authors:Gangwar, S.P, Klykov, O.V, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2021-08-27
Release date:2021-10-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and desensitization of AMPA receptor complexes with type II TARP gamma 5 and GSG1L.
Mol.Cell, 81, 2021
5D7I
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BU of 5d7i by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR
Descriptor: Beta-2-microglobulin, GLYCEROL, M33.64 TCR Alpha Chain, ...
Authors:Keller, A.N, Woolley, R.E, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016

238582

数据于2025-07-09公开中

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