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7HK3
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BU of 7hk3 by Molmil
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000053963
Descriptor: 1-benzofuran-2-carboxylic acid, De novo designed ABLE protein
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-10-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment screen against ABLE
To be published
4PQ0
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BU of 4pq0 by Molmil
Crystal structure of POB3 middle domain at 1.65A
Descriptor: FACT complex subunit POB3, MALONIC ACID
Authors:Liu, H.
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of POB3 middle domain at 1.65A
TO BE PUBLISHED
5EUU
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BU of 5euu by Molmil
Rat prestin STAS domain in complex with chloride
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Prestin,Prestin, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
4JJH
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BU of 4jjh by Molmil
Crystal structure of the D1 domain from human Nectin-4 extracellular fragment [PSI-NYSGRC-005624]
Descriptor: 1,2-ETHANEDIOL, Poliovirus receptor-related protein 4
Authors:Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-03-07
Release date:2013-03-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the D1 domain of human Nectin-4 extracellular fragment [NYSGRC-005624]
to be published
5EUS
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BU of 5eus by Molmil
Rat prestin STAS domain in complex with bromide
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Prestin,Rat prestin STAS domain, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5EUW
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BU of 5euw by Molmil
Rat prestin STAS domain in complex with nitrate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NITRATE ION, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5EUX
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BU of 5eux by Molmil
Rat prestin STAS domain in complex with thiocyanate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prestin,Prestin, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
1BTX
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BU of 1btx by Molmil
Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected by Binding or Chemistry on an Enzyme Surface
Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
6MNU
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BU of 6mnu by Molmil
Crystal structure of Yersinia pestis UDP-glucose pyrophosphorylase
Descriptor: 1,2-ETHANEDIOL, UTP--glucose-1-phosphate uridylyltransferase
Authors:Gibbs, M.E, Lountos, G.T, Gumpena, R, Waugh, D.S.
Deposit date:2018-10-03
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:Crystal structure of UDP-glucose pyrophosphorylase from Yersinia pestis, a potential therapeutic target against plague.
Acta Crystallogr.,Sect.F, 75, 2019
5EUZ
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BU of 5euz by Molmil
Rat prestin STAS domain in complex with iodide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5F1Q
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BU of 5f1q by Molmil
Crystal Structure of Periplasmic Dipeptide Transport Protein from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-11-30
Release date:2015-12-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Crystal Structure of Periplasmic Dipeptide Transport Protein from Yersinia pestis
To Be Published
4H79
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BU of 4h79 by Molmil
Crystal structure of CasB from Thermobifida fusca
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated protein, Cse2 family
Authors:Ke, A, Nam, K.H.
Deposit date:2012-09-20
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleic acid binding surface and dimer interface revealed by CRISPR-associated CasB protein structures.
Febs Lett., 586, 2012
1XKW
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BU of 1xkw by Molmil
Pyochelin outer membrane receptor FptA from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, Fe(III)-pyochelin receptor, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Cobessi, D, Celia, H, Pattus, F.
Deposit date:2004-09-30
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure at high resolution of ferric-pyochelin and its membrane receptor FptA from Pseudomonas aeruginosa
J.Mol.Biol., 352, 2005
2XCE
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BU of 2xce by Molmil
Structure of YncF in complex with dUpNHpp
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Garcia-Nafria, J, Burchell, L, Takezawa, M, Rzechorzek, N, Fogg, M, Wilson, K.S.
Deposit date:2010-04-22
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of the Genomic Bacillus Subtilis Dutpase: Novel Features in the Phe-Lid.
Acta Crystallogr.,Sect.D, 66, 2010
1C2A
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BU of 1c2a by Molmil
CRYSTAL STRUCTURE OF BARLEY BBI
Descriptor: BOWMAN-BIRK TRYPSIN INHIBITOR
Authors:Song, H.K, Kim, Y.S, Yang, J.K, Moon, J, Lee, J.Y, Suh, S.W.
Deposit date:1999-07-23
Release date:1999-12-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a 16 kDa double-headed Bowman-Birk trypsin inhibitor from barley seeds at 1.9 A resolution.
J.Mol.Biol., 293, 1999
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LZB
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BU of 4lzb by Molmil
Uracil binding pocket in Vaccinia virus uracil DNA glycosylase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2013-07-31
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of the uracil complex of Vaccinia virus uracil DNA glycosylase.
Acta Crystallogr.,Sect.F, 69, 2013
5VNB
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BU of 5vnb by Molmil
YEATS in complex with histone H3
Descriptor: 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2017-04-29
Release date:2018-09-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
1C44
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BU of 1c44 by Molmil
STEROL CARRIER PROTEIN 2 (SCP2) FROM RABBIT
Descriptor: PROTEIN (STEROL CARRIER PROTEIN 2)
Authors:Choinowski, T, Hauser, H, Piontek, K.
Deposit date:1999-07-02
Release date:2000-08-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of sterol carrier protein 2 at 1.8 A resolution reveals a hydrophobic tunnel suitable for lipid binding.
Biochemistry, 39, 2000
1XCS
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BU of 1xcs by Molmil
structure of oligonucleotide/drug complex
Descriptor: 5'-D(*CP*GP*TP*AP*CP*G)-3', 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM, BARIUM ION, ...
Authors:Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A.
Deposit date:2004-09-03
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem., 10, 2005
4JTB
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BU of 4jtb by Molmil
Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with phosphate ion at 1.71 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, rRNA N-glycosidase
Authors:Pandey, S, Tyagi, T.K, Singh, A, Kushwaha, G.S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-03-23
Release date:2013-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with phosphate ion at 1.71 Angstrom resolution
To be published
4MXN
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BU of 4mxn by Molmil
Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-09-26
Release date:2013-10-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a hypothetical protein (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution
To be published
4BCJ
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BU of 4bcj by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
1XSN
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BU of 1xsn by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
2YRA
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BU of 2yra by Molmil
Solution structure of the zinc finger domains (1-87) from human F-box only protein
Descriptor: Seizure 6-like protein isoform 3
Authors:Nagashima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-02
Release date:2007-10-02
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of the zinc finger domains (1-87) from human F-box only protein
To be Published

245011

數據於2025-11-19公開中

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