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4KML
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BU of 4kml by Molmil
Probing the N-terminal beta-sheet conversion in the crystal structure of the full-length human prion protein bound to a Nanobody
分子名称: Major prion protein, Nanobody
著者Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J.
登録日2013-05-08
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
7JUO
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BU of 7juo by Molmil
CBP bromodomain complexed with YF2-23
分子名称: CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
著者Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G.
登録日2020-08-20
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8U3S
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BU of 8u3s by Molmil
Structure of human TIRR in complex with VHH4 nanobody
分子名称: Nanobody, Tudor-interacting repair regulator protein
著者Botuyan, M.V, Mer, G.
登録日2023-09-08
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of human TIRR in complex with VHH4 nanobody
To Be Published
7KD3
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BU of 7kd3 by Molmil
Structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
分子名称: Putative transcriptional regulator
著者Menon, S.K, Isom, C.E, Karr, E.A.
登録日2020-10-07
公開日2021-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
To Be Published
6B2C
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BU of 6b2c by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b)
分子名称: Macrophage migration inhibitory factor, SULFATE ION, {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid
著者Krimmer, S.G, Robertson, M.J, Jorgensen, W.L.
登録日2017-09-19
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
1WRM
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BU of 1wrm by Molmil
Crystal structure of JSP-1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, dual specificity phosphatase 22
著者Yokota, T, Kashima, A, Kato, R, Sugio, S.
登録日2004-10-22
公開日2005-10-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human dual specificity phosphatase, JNK stimulatory phosphatase-1, at 1.5 A resolution
Proteins, 66, 2006
1WZ2
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BU of 1wz2 by Molmil
The crystal structure of Leucyl-tRNA synthetase and tRNA(leucine) complex
分子名称: Leucyl-tRNA synthetase, tRNA
著者Fukunaga, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-02-21
公開日2005-09-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The crystal structure of Leucyl-tRNA synthetase and tRNA(leucine) complex
to be published
2WBB
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BU of 2wbb by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR
分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE
著者Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E.
登録日2009-02-26
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
1FG9
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BU of 1fg9 by Molmil
3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER
分子名称: INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
著者Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E.
登録日2000-07-28
公開日2000-08-11
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
7JR5
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BU of 7jr5 by Molmil
Real Time Reaction Intermediates in Stigmatella Bacteriophytochrome P2
分子名称: 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP
著者Schmidt, M.
登録日2020-08-11
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-resolution crystal structures of transient intermediates in the phytochrome photocycle.
Structure, 29, 2021
2WH0
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BU of 2wh0 by Molmil
Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon
分子名称: 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ...
著者Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q.
登録日2009-04-28
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon.
Embo Rep., 10, 2009
4IQ6
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BU of 4iq6 by Molmil
Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
分子名称: 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta
著者Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D.
登録日2013-01-10
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
2X0B
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BU of 2x0b by Molmil
Crystal structure of human angiotensinogen complexed with renin
分子名称: ANGIOTENSINOGEN, RENIN
著者Zhou, A, Wei, Z, Yan, Y, Carrell, R.W, Read, R.J.
登録日2009-12-08
公開日2010-10-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.33 Å)
主引用文献A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
4AG5
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BU of 4ag5 by Molmil
Structure of VirB4 of Thermoanaerobacter pseudethanolicus
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G.
登録日2012-01-24
公開日2012-07-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System.
Proc.Natl.Acad.Sci.USA, 109, 2012
1WVD
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BU of 1wvd by Molmil
HIV-1 Dis(Mal) Duplex CoCl2-Soaked
分子名称: 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', COBALT (II) ION
著者Ennifar, E, Walter, P, Dumas, P.
登録日2004-12-15
公開日2004-12-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献A crystallographic study of the binding of 13 metal ions to two related RNA duplexes
Nucleic Acids Res., 31, 2003
6BG7
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BU of 6bg7 by Molmil
Crystal structure of G107A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-10-27
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
8V8B
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BU of 8v8b by Molmil
Structure of 80alpha portal protein expressed in E. coli
分子名称: Portal protein
著者Kizziah, J.L, Mukherjee, A, Dokland, T.
登録日2023-12-05
公開日2024-01-10
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
1WBU
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BU of 1wbu by Molmil
Fragment based lead discovery using crystallography
分子名称: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, RIBONUCLEASE
著者Cleasby, A, Hartshorn, M.J, Murray, C.W, Jhoti, H, Tickle, I.J.
登録日2004-11-05
公開日2005-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1WBK
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BU of 1wbk by Molmil
HIV-1 protease in complex with asymmetric inhibitor, BEA568
分子名称: N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL], POL PROTEIN (FRAGMENT)
著者Lindberg, J, Unge, T.
登録日2004-11-02
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease in Complex with Asymmetric Inhibitor, Bea568
To be Published
1J1B
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BU of 1j1b by Molmil
Binary complex structure of human tau protein kinase I with AMPPNP
分子名称: Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
登録日2002-12-03
公開日2003-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
2WXZ
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BU of 2wxz by Molmil
Crystal structure of rat angiotensinogen in C2 space group
分子名称: ANGIOTENSINOGEN
著者Zhou, A, Wei, Z, Carrell, R.W, Read, R.J.
登録日2009-11-11
公開日2010-10-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
1W8Y
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BU of 1w8y by Molmil
Crystal structure of the nitrocefin acyl-DD-peptidase from Actinomadura R39.
分子名称: (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase, MAGNESIUM ION, ...
著者Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P.
登録日2004-10-01
公開日2005-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Actinomadura R39 Dd- Peptidase Reveals New Domains in Penicillin- Binding Proteins.
J.Biol.Chem., 280, 2005
4DUM
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BU of 4dum by Molmil
Co-crystal structure of eIF4E with inhibitor
分子名称: (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-22
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
7FTG
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BU of 7ftg by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTF
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Crystal Structure of apo human cyclic GMP-AMP synthase
分子名称: 1,2-ETHANEDIOL, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

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