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2UW6
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BU of 2uw6 by Molmil
Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine
Descriptor: (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
8H2A
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BU of 8h2a by Molmil
Crystal structure of alcohol dehydrogenase from Formosa agariphila
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Brott, S, Bornscheuer, U.T, Nam, K.H.
Deposit date:2022-10-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of alcohol dehydrogenase from Formosa agariphila
To Be Published
4V69
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BU of 4v69 by Molmil
Ternary complex-bound E.coli 70S ribosome.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
2UWI
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BU of 2uwi by Molmil
Structure of CrmE, a poxvirus TNF receptor
Descriptor: CRME PROTEIN
Authors:Graham, S.C, Bahar, M.W, Abrescia, N.G, Smith, G.L, Stuart, D.I, Grimes, J.M.
Deposit date:2007-03-22
Release date:2007-07-10
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Crme, a Virus-Encoded Tumour Necrosis Factor Receptor.
J.Mol.Biol., 372, 2007
4V3L
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BU of 4v3l by Molmil
RNF38-UB-UbcH5B-Ub complex
Descriptor: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ...
Authors:Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
Deposit date:2014-10-20
Release date:2015-04-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
8H2B
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BU of 8h2b by Molmil
Crystal structure of alcohol dehydrogenase from Zobellia galactanivorans
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Brott, S, Bornscheuer, U.T, Nam, K.H.
Deposit date:2022-10-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of alcohol dehydrogenase from Zobellia galactanivorans
To Be Published
2UXE
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BU of 2uxe by Molmil
The structure of Vaccinia virus N1
Descriptor: HYPOTHETICAL PROTEIN
Authors:Cooray, S, Bahar, M.W, Abrescia, N.G.A, McVey, C.E, Bartlett, N.W, Chen, R.A.-J, Stuart, D.I, Grimes, J.M, Smith, G.L.
Deposit date:2007-03-28
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Functional and Structural Studies of the Vaccinia Virus Virulence Factor N1 Reveal a Bcl-2-Like Anti- Apoptotic Protein
J.Gen.Virol., 88, 2007
4V6O
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BU of 4v6o by Molmil
Structural characterization of mRNA-tRNA translocation intermediates (class 4a of the six classes)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-12-07
Release date:2014-07-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (14.7 Å)
Cite:Structural characterization of mRNA-tRNA translocation intermediates.
Proc.Natl.Acad.Sci.USA, 109, 2012
8H46
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BU of 8h46 by Molmil
Blasnase-T13A/P55N with L-asn
Descriptor: ASPARAGINE, FORMIC ACID, GLYCEROL, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
2UUB
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BU of 2uub by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL with cmo5U in position 34 bound to an mRNA with a GUU-codon in the A-site and paromomycin.
Descriptor: 16S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Weixlbaumer, A, Murphy, F.V, Dziergowska, A, Malkiewicz, A, Vendeix, F.A.P, Agris, P.F, Ramakrishnan, V.
Deposit date:2007-03-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism for Expanding the Decoding Capacity of Transfer Rnas by Modification of Uridines
Nat.Struct.Mol.Biol., 14, 2007
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
Descriptor: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
8H47
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BU of 8h47 by Molmil
Blasnase-T13A/P55F
Descriptor: FORMIC ACID, GLYCEROL, L-asparaginase, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
2USN
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BU of 2usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803
Descriptor: CALCIUM ION, STROMELYSIN-1, ZINC ION, ...
Authors:Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
4V30
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BU of 4v30 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Lenalidomide
Descriptor: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
8H4B
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BU of 8h4b by Molmil
Blasnase-T13A/M57P with L-asn
Descriptor: ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
2UX4
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BU of 2ux4 by Molmil
X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 9 in the charge-separated state, 2nd dataset
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Koepke, J, Diehm, R, Fritzsch, G.
Deposit date:2007-03-26
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
7ZTR
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BU of 7ztr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, W232F mutant
Descriptor: Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
8H4E
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BU of 8h4e by Molmil
Blasnase-T13A/P55N with D-asn
Descriptor: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Wang, W, Chi, H, Ran, T.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published
4V31
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BU of 4v31 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine
Descriptor: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
2UUD
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BU of 2uud by Molmil
Crystal structure of the TEPC15-Vk45.1 anti-2-phenyl-5-oxazolone NQ10- 1.12 scFv in complex with the hapten
Descriptor: 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID, NQ10-1.12 ANTI-PHOX ANTIBODY
Authors:Scotti, C, Gherardi, E.
Deposit date:2007-03-02
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Affinity Maturation of the Tepc15-Vkappa45.1 Anti-2-Phenyl-5-Oxazolone Antibodies
J.Mol.Biol., 359, 2006
4V1V
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BU of 4v1v by Molmil
Heterocyclase in complex with substrate and Cofactor
Descriptor: LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Koehnke, J, Naismith, J.H.
Deposit date:2014-10-02
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
7ZVR
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BU of 7zvr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-17
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
2UUG
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BU of 2uug by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH H187D MUTANT UDG AND WILD-TYPE UGI
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A.
Deposit date:1998-10-31
Release date:1999-03-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ...
Authors:Yang, J, Lin, S, Lu, G.W.
Deposit date:2022-10-13
Release date:2023-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
4UWJ
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BU of 4uwj by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand
Descriptor: 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D.
Deposit date:2014-08-12
Release date:2014-12-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014

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数据于2024-10-16公开中

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