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5J41
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BU of 5j41 by Molmil
Glutathione S-transferase bound with hydrolyzed Piperlongumine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ...
著者Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K.
登録日2016-03-31
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.19035351 Å)
主引用文献Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
7UCK
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BU of 7uck by Molmil
80S translation initiation complex with ac4c(-1) mRNA and Harringtonine
分子名称: 18S rRNA, 28s rRNA, 40S ribosomal protein S10, ...
著者Yang, R, Arango, D, Sturgill, D, Oberdoerffer, S.
登録日2022-03-16
公開日2022-06-01
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Direct epitranscriptomic regulation of mammalian translation initiation through N4-acetylcytidine.
Mol.Cell, 82, 2022
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
分子名称: Chorismate mutase, UNKNOWN ATOM OR ION
著者Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-11-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
4PL5
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BU of 4pl5 by Molmil
Crystal structure of murine IRE1 in complex with OICR573 inhibitor
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
登録日2014-05-16
公開日2014-09-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
1LJM
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BU of 1ljm by Molmil
DNA recognition is mediated by conformational transition and by DNA bending
分子名称: CHLORIDE ION, RUNX1 transcription factor
著者Bartfeld, D, Shimon, L, Couture, G.C, Rabinovich, D, Frolow, F, Levanon, D, Groner, Y, Shakked, Z.
登録日2002-04-22
公開日2002-11-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献DNA Recognition by the RUNX1 Transcription Factor Is Mediated by an Allosteric Transition in the RUNT Domain and by DNA Bending.
Structure, 10
3FPF
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BU of 3fpf by Molmil
Crystal Structure of MtNAS in complex with MTA and tNA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, BROMIDE ION, N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid, ...
著者Dreyfus, C, Pignol, D, Arnoux, P.
登録日2009-01-05
公開日2009-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in Archaea
Proc.Natl.Acad.Sci.USA, 106, 2009
3GMD
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BU of 3gmd by Molmil
Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I
分子名称: 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D.
登録日2009-03-13
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.
Bioorg.Med.Chem.Lett., 22, 2012
1BGC
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BU of 1bgc by Molmil
CRYSTAL STRUCTURE OF CANINE AND BOVINE GRANULOCYTE-COLONY STIMULATING FACTOR (G-CSF)
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Lovejoy, B, Cascio, D, Eisenberg, D.
登録日1993-04-27
公開日1993-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of canine and bovine granulocyte-colony stimulating factor (G-CSF).
J.Mol.Biol., 234, 1993
3FPH
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BU of 3fph by Molmil
Crystal Structure of E81Q mutant of MtNAS in complex with L-Glutamate
分子名称: GLUTAMIC ACID, Putative uncharacterized protein, SODIUM ION
著者Dreyfus, C, Pignol, D, Arnoux, P.
登録日2009-01-05
公開日2009-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in Archaea
Proc.Natl.Acad.Sci.USA, 106, 2009
3FTL
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BU of 3ftl by Molmil
NVGSNTY segment from Islet Amyloid Polypeptide (IAPP or Amylin), dehydrated crystal form
分子名称: NVGSNTY heptapeptide segment from Islet Amyloid Polypeptide
著者Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
登録日2009-01-13
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance
Nat.Struct.Mol.Biol., 16, 2009
3FXQ
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BU of 3fxq by Molmil
Crystal structure of the LysR-type transcriptional regulator TsaR
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, FORMIC ACID, ...
著者Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
登録日2009-01-21
公開日2010-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
3FXR
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BU of 3fxr by Molmil
Crystal structure of TsaR in complex with sulfate
分子名称: ASCORBIC ACID, GLYCEROL, LysR type regulator of tsaMBCD, ...
著者Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
登録日2009-01-21
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
3FR1
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BU of 3fr1 by Molmil
NFLVHS segment from Islet Amyloid Polypeptide (IAPP or Amylin)
分子名称: CHLORIDE ION, Islet amyloid polypeptide
著者Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
登録日2009-01-08
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance
Nat.Struct.Mol.Biol., 16, 2009
5G0Z
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BU of 5g0z by Molmil
Structure of native granulovirus polyhedrin determined using an X-ray free-electron laser
分子名称: GRANULIN
著者Gati, C, Bunker, R.D, Oberthur, D, Metcalf, P, Henry, C.
登録日2016-03-23
公開日2017-02-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1C2U
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BU of 1c2u by Molmil
SOLUTION STRUCTURE OF [ABU3,35]SHK12-28,17-32
分子名称: SYNTHETIC PEPTIDE ANALOGUE OF SHK TOXIN
著者Pennington, M.W, Lanigan, M.D, Kalman, K, Manhir, V.M, Rauer, H, McVaugh, C.T, Behm, D, Donaldson, D, Chandy, K.G, Kem, W.R, Norton, R.S.
登録日1999-07-27
公開日1999-11-10
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献Role of disulfide bonds in the structure and potassium channel blocking activity of ShK toxin.
Biochemistry, 38, 1999
3FTR
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BU of 3ftr by Molmil
Structure of an amyloid forming peptide SSTNVG from IAPP (alternate polymorph)
分子名称: SSTNVG FROM ISLET AMYLOID POLYPEPTIDE
著者Landau, M, Eisenberg, D.
登録日2009-01-13
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
6WG1
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BU of 6wg1 by Molmil
Crystal structure of Fab399 in complex with NPNA6 peptide from circumsporozoite protein
分子名称: Fab399 heavy chain, Fab399 light chain, NPNA6 peptide
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2020-04-04
公開日2020-07-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.086 Å)
主引用文献Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
3FVA
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BU of 3fva by Molmil
NNQNTF segment from elk prion
分子名称: Major prion protein
著者Apostol, M.I, Eisenberg, D.
登録日2009-01-15
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.458 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
3FTK
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BU of 3ftk by Molmil
NVGSNTY segment from Islet Amyloid Polypeptide (IAPP or Amylin), hydrated crystal form
分子名称: NVGSNTY heptapeptide segment from Islet Amyloid Polypeptide
著者Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
登録日2009-01-13
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance
Nat.Struct.Mol.Biol., 16, 2009
1BZO
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BU of 1bzo by Molmil
THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU,ZN SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI, SOLVED BY X-RAY CRYSTALLOGRAPHY.
分子名称: COPPER (II) ION, PROTEIN (SUPEROXIDE DISMUTASE), URANYL (VI) ION, ...
著者Bordo, D, Matak, D, Djinovic-Carugo, K, Rosano, C, Pesce, A, Bolognesi, M, Stroppolo, M.E, Falconi, M, Battistoni, A, Desideri, A.
登録日1998-11-02
公開日1999-04-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase.
J.Mol.Biol., 285, 1999
6TNB
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BU of 6tnb by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41
分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK
著者Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
1BL9
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BU of 1bl9 by Molmil
CONFORMATIONAL CHANGES OCCURRING UPON REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA
分子名称: HEME C, HEME D, HYDROXIDE ION, ...
著者Nurizzo, D, Cambillau, C, Tegoni, M.
登録日1998-07-20
公開日1999-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformational changes occurring upon reduction and NO binding in nitrite reductase from Pseudomonas aeruginosa.
Biochemistry, 37, 1998
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
分子名称: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
著者Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
登録日2010-06-09
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
1RTH
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BU of 1rth by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-05-03
公開日1996-04-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1REV
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BU of 1rev by Molmil
HIV-1 REVERSE TRANSCRIPTASE
分子名称: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Ren, J, Esnouf, R, Hopkins, A, Ross, C, Jones, Y, Stammers, D, Stuart, D.
登録日1995-09-17
公開日1996-10-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design.
Structure, 3, 1995

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