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5V80
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PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
分子名称: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2017-03-21
公開日2018-04-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
2QED
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BU of 2qed by Molmil
Crystal structure of Salmonella thyphimurium LT2 glyoxalase II
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Hydroxyacylglutathione hydrolase
著者Leite, N.R, Campos Bermudez, V.A, Krogh, R, Oliva, G, Soncini, F.C, Vila, A.J.
登録日2007-06-25
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Biochemical and Structural Characterization of Salmonella typhimurium Glyoxalase II: New Insights into Metal Ion Selectivity
Biochemistry, 46, 2007
3DN1
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Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
1TLD
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BU of 1tld by Molmil
CRYSTAL STRUCTURE OF BOVINE BETA-TRYPSIN AT 1.5 ANGSTROMS RESOLUTION IN A CRYSTAL FORM WITH LOW MOLECULAR PACKING DENSITY. ACTIVE SITE GEOMETRY, ION PAIRS AND SOLVENT STRUCTURE
分子名称: BETA-TRYPSIN, CALCIUM ION, SULFATE ION
著者Bartunik, H.D, Summers, L.J, Bartsch, H.H.
登録日1989-07-24
公開日1990-01-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of bovine beta-trypsin at 1.5 A resolution in a crystal form with low molecular packing density. Active site geometry, ion pairs and solvent structure.
J.Mol.Biol., 210, 1989
2RPQ
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BU of 2rpq by Molmil
Solution Structure of a SUMO-interacting motif of MBD1-containing chromatin-associated factor 1 bound to SUMO-3
分子名称: Activating transcription factor 7-interacting protein 1, Small ubiquitin-related modifier 2
著者Sekiyama, N, Ikegami, T, Yamane, T, Ikeguchi, M, Uchimura, Y, Baba, D, Ariyoshi, M, Tochio, H, Saitoh, H, Shirakawa, M.
登録日2008-07-07
公開日2008-10-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the small ubiquitin-like modifier (SUMO)-interacting motif of MBD1-containing chromatin-associated factor 1 bound to SUMO-3
J.Biol.Chem., 283, 2008
1RNB
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CRYSTAL STRUCTURE OF A BARNASE-D(*GP*C) COMPLEX AT 1.9 ANGSTROMS RESOLUTION
分子名称: BARNASE, DNA (5'-D(*GP*C)-3'), SULFATE ION
著者Janin, J, Baudet, S.
登録日1991-03-19
公開日1992-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a barnase-d(GpC) complex at 1.9 A resolution.
J.Mol.Biol., 219, 1991
4COQ
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BU of 4coq by Molmil
The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide.
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ...
著者James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A.
登録日2014-01-30
公開日2014-10-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
2RLG
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BU of 2rlg by Molmil
NMR structure of the antimicrobial peptide RP-1 bound to SDS micelles
分子名称: antimicrobial peptide RP-1
著者Bourbigot, S, Dodd, E, Horwood, C, Booth, V.
登録日2007-07-07
公開日2008-07-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Antimicrobial peptide RP-1 structure and interactions with anionic versus zwitterionic micelles.
Biopolymers, 91, 2009
3ZUU
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The structure of OST1 (D160A, S175D) kinase in complex with gold
分子名称: 1,2-ETHANEDIOL, GOLD ION, Serine/threonine-protein kinase SRK2E
著者Yunta, C, Martinez-Ripoll, M, Albert, A.
登録日2011-07-20
公開日2011-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress.
J. Mol. Biol., 414, 2011
2HBE
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BU of 2hbe by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
分子名称: HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (BETA CHAIN), N-BUTYL ISOCYANIDE, ...
著者Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
登録日1994-08-31
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1, 1993
2FVD
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BU of 2fvd by Molmil
Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor
分子名称: (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2
著者Crowther, R.L, Lukacs, C.M, Kammlott, R.U.
登録日2006-01-30
公開日2006-10-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity.
J.Med.Chem., 49, 2006
4DR8
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BU of 4dr8 by Molmil
Crystal structure of a peptide deformylase from Synechococcus elongatus
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwer, F.
登録日2012-02-17
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
4MCD
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hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
2Z53
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BU of 2z53 by Molmil
Crystal structure of the S211A mutant of the ribosome inactivating protein PDL4 from P. dioica leaves
分子名称: 1,2-ETHANEDIOL, Ribosome-inactivating protein PD-L4
著者Berisio, R, Ruggiero, A.
登録日2007-06-27
公開日2008-02-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Atomic resolution (1.1 A) structure of the ribosome-inactivating protein PD-L4 from Phytolacca dioica L. leaves
Proteins, 71, 2008
3G5S
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Crystal structure of Thermus thermophilus TrmFO in complex with glutathione
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, ...
著者Nishimasu, H, Ishitani, R, Hori, H, Nureki, O.
登録日2009-02-05
公開日2009-05-19
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Proc.Natl.Acad.Sci.USA, 106, 2009
3Q92
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BU of 3q92 by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-07
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
4DF3
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Crystal Structure of Aeropyrum pernix fibrillarin in complex with natively bound S-adenosyl-L-methionine at 1.7A
分子名称: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, S-ADENOSYLMETHIONINE
著者de Silva, U.
登録日2012-01-22
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure of Aeropyrum pernix fibrillarin in complex with natively bound S-adenosyl-L-methionine at 1.7 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
4MCC
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BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
2JUK
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guanidino neomycin B recognition of an HIV-1 RNA helix
分子名称: (1S,2R,3S,4R,6S)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-O-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranosyl)-beta-D-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranoside, HIV-1 frameshift site RNA
著者Staple, D.W, Venditti, V, Niccolai, N, Elson-Schwab, L, Tor, Y, Butcher, S.E.
登録日2007-08-30
公開日2007-11-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Guanidinoneomycin B Recognition of an HIV-1 RNA Helix.
Chembiochem, 9, 2008
3OHG
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BU of 3ohg by Molmil
Crystal structure of a protein with unknown function from DUF2233 family (BACOVA_00430) from Bacteroides ovatus at 1.80 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-08-17
公開日2010-09-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the DUF2233 domain in bacteria and in the human mannose 6-phosphate uncovering enzyme.
J.Biol.Chem., 288, 2013
2PYU
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Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with IMP
分子名称: 1,2-ETHANEDIOL, INOSINIC ACID, Inosine Triphosphate Pyrophosphatase RdgB
著者Singer, A.U, Proudfoot, M, Skarina, T, Savchenko, A, Yakunin, A.F.
登録日2007-05-16
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Molecular basis of the antimutagenic activity of the house-cleaning inosine triphosphate pyrophosphatase RdgB from Escherichia coli.
J.Mol.Biol., 374, 2007
2G47
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Crystal structure of human insulin-degrading enzyme in complex with amyloid-beta (1-40)
分子名称: 1,4-DIETHYLENE DIOXIDE, Insulin-degrading enzyme, amyloid protein beta A4
著者Shen, Y, Tang, W.-J.
登録日2006-02-21
公開日2006-10-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of human insulin-degrading enzyme reveal a new substrate recognition mechanism.
Nature, 443, 2006
1PJV
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Cobatoxin 1 from Centruroides noxius Scorpion venom: Chemical Synthesis, 3-D Structure in Solution, Pharmacology and Docking on K+ channels
分子名称: Cobatoxin 1
著者Mosbah, A, Jouirou, B, Visan, V, Grissmer, S, El Ayeb, M, Rochat, H, De Waard, M, Mabrouk, K, Sabatier, J.M.
登録日2003-06-03
公開日2004-03-09
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Cobatoxin 1 from Centruroides noxius scorpion venom: chemical synthesis, three-dimensional structure in solution, pharmacology and docking on K+ channels.
Biochem.J., 377, 2004
1PN4
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Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA.
分子名称: 1,2-ETHANEDIOL, 3R-HYDROXYDECANOYL-COENZYME A, Peroxisomal hydratase-dehydrogenase-epimerase
著者Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T.
登録日2003-06-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2.
J.Biol.Chem., 279, 2004
3ZHI
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N-terminal domain of the CI repressor from bacteriophage TP901-1
分子名称: CI
著者Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L.
登録日2012-12-21
公開日2013-12-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013

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