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2A02
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BU of 2a02 by Molmil
Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida.
Descriptor: Ferric-pseudobactin 358 receptor
Authors:Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J.
Deposit date:2005-06-15
Release date:2006-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
1ZYR
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BU of 1zyr by Molmil
Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase omega chain, ...
Authors:Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E.
Deposit date:2005-06-10
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation.
Cell(Cambridge,Mass.), 122, 2005
1Y4I
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BU of 1y4i by Molmil
Crystal structure of Citrobacter Freundii L-methionine-lyase
Descriptor: SULFATE ION, methionine gamma-lyase
Authors:Revtovich, S.V, Mamaeva, D.V, Morozova, E.A, Nikulin, A.D, Nikonov, S.V, Garber, M.B, Demidkina, T.V.
Deposit date:2004-12-01
Release date:2005-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Citrobacter freundii L-methionine gamma-lyase.
Acta Crystallogr.,Sect.F, 61, 2005
1Y8Y
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BU of 1y8y by Molmil
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2
Authors:Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
1Y91
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BU of 1y91 by Molmil
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2
Authors:Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
1Z3R
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BU of 1z3r by Molmil
Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III
Descriptor: polyprotein
Authors:Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G.
Deposit date:2005-03-14
Release date:2006-03-14
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure of the envelope protein domain III of Omsk hemorrhagic fever virus.
Virology, 351, 2006
1QIN
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BU of 1qin by Molmil
HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE
Descriptor: PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION
Authors:Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B.
Deposit date:1999-06-14
Release date:1999-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
1ZZF
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BU of 1zzf by Molmil
The DNA-bound solution structure of HPV-16 E2 DNA-binding domain
Descriptor: Regulatory protein E2
Authors:Eliseo, T, Nadra, A.D, De Prat-Gay, G, Paci, M, Cicero, O.D.
Deposit date:2005-06-14
Release date:2006-03-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The DNA-bound solution structure of HPV-16 E2 DNA-binding domain
to be published
2A4H
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BU of 2a4h by Molmil
Solution structure of Sep15 from Drosophila melanogaster
Descriptor: Selenoprotein Sep15
Authors:Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J.
Deposit date:2005-06-28
Release date:2005-12-13
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
2A2P
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BU of 2a2p by Molmil
Solution structure of SelM from Mus musculus
Descriptor: Selenoprotein M
Authors:Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J.
Deposit date:2005-06-22
Release date:2005-12-06
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
2AAV
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BU of 2aav by Molmil
Solution NMR structure of Filamin A domain 17
Descriptor: Filamin A
Authors:Nakamura, F, Pudas, R, Heikkinen, O, Permi, P, Kilpelainen, I, Munday, A.D, Hartwig, J.H, Stossel, T.P, Ylanne, J.
Deposit date:2005-07-14
Release date:2006-05-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The structure of the GPIb-filamin A complex
Blood, 107, 2006
2AXM
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BU of 2axm by Molmil
HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
Authors:Digabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A.
Deposit date:1997-10-20
Release date:1998-04-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
5H8B
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BU of 5h8b by Molmil
Crystal structure of CK2 with compound 2
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2015-12-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
2LS8
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BU of 2ls8 by Molmil
Solution structure of human C-type lectin domain family 4 member D
Descriptor: C-type lectin domain family 4 member D
Authors:Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-23
Release date:2012-05-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of human C-type lectin domain family 4 member D
To be Published
5KO3
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BU of 5ko3 by Molmil
Structure of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design
Descriptor: ACETATE ION, ORF1a, ZINC ION
Authors:Clasman, J.C, Baez-Santos, Y.M, Mesecar, A.D.
Deposit date:2016-06-29
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:X-ray Structure and Enzymatic Activity Profile of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design.
Sci Rep, 7, 2017
5H8E
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BU of 5h8e by Molmil
Crystal structure of CK2 with compound 7h
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Ferguson, A.D.
Deposit date:2015-12-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5HLK
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BU of 5hlk by Molmil
Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ...
Authors:Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L.
Deposit date:2016-01-15
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.
Biochemistry, 55, 2016
5HYO
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BU of 5hyo by Molmil
X-Ray Structure of Unbound Porcine Epidemic Diarrhea Virus 3CLpro
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
Authors:St John, S.E, Mesecar, A.D.
Deposit date:2016-02-01
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus.
Sci Rep, 6, 2016
5I21
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BU of 5i21 by Molmil
Y55W Hfq from Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, RNA-binding protein Hfq
Authors:Nikulin, A.D, Lekontseva, N.V.
Deposit date:2016-02-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Y55W Hfq from Pseudomonas aeruginosa
To Be Published
2M96
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BU of 2m96 by Molmil
Solution NMR structure of the RXFP2 LDLa module
Descriptor: CALCIUM ION, Relaxin receptor 2
Authors:Petrie, E.J, Gooley, P.R, Bathgate, A.D.
Deposit date:2013-06-03
Release date:2014-06-04
Method:SOLUTION NMR
Cite:Solution NMR structure of the RXFP2 LDLa module
To be Published
5M2H
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BU of 5m2h by Molmil
Crystal structure of vancomycin-Zn(II)-citrate complex
Descriptor: CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ...
Authors:Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J.
Deposit date:2016-10-13
Release date:2017-07-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
5M3Z
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BU of 5m3z by Molmil
Crystal structure of Citrobacter freundii methionine gamma-lyase with C115H replacement in the complex with L-norleucine
Descriptor: 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID, Methionine gamma-lyase, NORLEUCINE, ...
Authors:Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V.
Deposit date:2016-10-17
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of mutant form Cys115His of Citrobacter freundii methionine gamma-lyase complexed with l-norleucine.
Biochim. Biophys. Acta, 1865, 2017
5I6C
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BU of 5i6c by Molmil
The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine
Descriptor: DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE
Authors:Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B.
Deposit date:2016-02-16
Release date:2016-04-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity.
Nat Commun, 7, 2016
5MKN
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BU of 5mkn by Molmil
Crystal structure of SmAP (LSm) protein from Methanococcus vannielii
Descriptor: Like-Sm ribonucleoprotein core, TETRAETHYLENE GLYCOL, URIDINE-5'-MONOPHOSPHATE
Authors:Nikulin, A.D, Lekontseva, N.V, Tishchenko, S.V, Kravchenko, O.V.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of SmAP (LSm) protein from Methanococcus vannielii in complex with URIDINE-5'-MONOPHOSPHATE
To Be Published
5MU8
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BU of 5mu8 by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525
Descriptor: Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
Authors:Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J.
Deposit date:2017-01-12
Release date:2017-03-29
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.
J. Med. Chem., 60, 2017

222415

數據於2024-07-10公開中

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