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3RMN
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BU of 3rmn by Molmil
Human Thrombin in complex with MI341
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-04-21
公開日2012-04-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
6PE0
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BU of 6pe0 by Molmil
Msp1 (E214Q)-substrate complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Membrane-spanning ATPase-like protein, ...
著者Wang, L, Myasnikov, A, Pan, X, Walter, P.
登録日2019-06-19
公開日2020-02-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Elife, 9, 2020
2DPC
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BU of 2dpc by Molmil
Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine
分子名称: (6-AMINOHEXYL)CARBAMIC ACID, COBALT (II) ION, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(OMU)P*DCP*DGP*DCP*DG)-3'), ...
著者Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2006-05-08
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules
Nucleic Acids Res., 35, 2007
1WBV
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BU of 1wbv by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
分子名称: 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
登録日2004-11-05
公開日2005-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
2DQP
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BU of 2dqp by Molmil
Structural analyses of DNA:DNA and RNA:DNA duplexes containing 5-(N-aminohexyl)carbamoyl modified uridines
分子名称: (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3')
著者Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2006-05-29
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules
Nucleic Acids Res., 35, 2007
1C12
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BU of 1c12 by Molmil
INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE
分子名称: PROTEIN (ANTIBODY FRAGMENT FAB), TRAZEOLIDE
著者Langedijk, A.C, Spinelli, S, Anguille, C, Hermans, P, Nederlof, J, Butenandt, J, Honegger, A, Cambillau, C, Pluckthun, A.
登録日1999-07-20
公開日1999-08-14
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insight into odorant perception: the crystal structure and binding characteristics of antibody fragments directed against the musk odorant traseolide.
J.Mol.Biol., 292, 1999
6PJI
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BU of 6pji by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-43
分子名称: Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
1C1Z
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BU of 1c1z by Molmil
CRYSTAL STRUCTURE OF HUMAN BETA-2-GLYCOPROTEIN-I (APOLIPOPROTEIN-H)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA2-GLYCOPROTEIN-I, ...
著者Schwarzenbacher, R, Zeth, K, Diederichs, K, Gries, A, Kostner, G.M, Laggner, P, Prassl, R.
登録日1999-07-22
公開日1999-11-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystal structure of human beta2-glycoprotein I: implications for phospholipid binding and the antiphospholipid syndrome.
EMBO J., 18, 1999
6P6C
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BU of 6p6c by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2
分子名称: Astrocytic phosphoprotein PEA-15
著者Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
登録日2019-06-03
公開日2019-07-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
6PKY
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BU of 6pky by Molmil
Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-30
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
3R4U
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BU of 3r4u by Molmil
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
分子名称: Botulinum neurotoxin type C1
著者Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T.
登録日2011-03-17
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites.
Mol.Microbiol., 81, 2011
5AZU
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BU of 5azu by Molmil
CRYSTAL STRUCTURE ANALYSIS OF OXIDIZED PSEUDOMONAS AERUGINOSA AZURIN AT PH 5.5 AND PH 9.0. A PH-INDUCED CONFORMATIONAL TRANSITION INVOLVES A PEPTIDE BOND FLIP
分子名称: AZURIN, COPPER (II) ION, NITRATE ION
著者Nar, H, Messerschmidt, A, Huber, R.
登録日1993-06-23
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure analysis of oxidized Pseudomonas aeruginosa azurin at pH 5.5 and pH 9.0. A pH-induced conformational transition involves a peptide bond flip.
J.Mol.Biol., 221, 1991
2ZNR
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BU of 2znr by Molmil
Crystal structure of the DUB domain of human AMSH-LP
分子名称: 1,2-ETHANEDIOL, AMSH-like protease, PRASEODYMIUM ION, ...
著者Sato, Y, Azusa, Y, Yamagata, A, Mimura, H, Wang, X, Yamashita, M, Ookata, K, Nureki, O, Iwai, K, Komada, M, Fukai, S.
登録日2008-05-01
公開日2008-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for specific cleavage of Lys 63-linked polyubiquitin chains
Nature, 455, 2008
6Y42
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BU of 6y42 by Molmil
Crystal Structure of RsrR complexed to a 39 basepair DNA fragment of the rsrR promoter
分子名称: DNA (39-MER), FE2/S2 (INORGANIC) CLUSTER, Rrf2 family transcriptional regulator
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2020-02-19
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6F1X
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BU of 6f1x by Molmil
Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
分子名称: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
2ZNX
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BU of 2znx by Molmil
5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv
著者DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S.
登録日2008-05-02
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
6P3E
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BU of 6p3e by Molmil
Mobile loops and electrostatic interactions maintain the flexible lambda tail tube
分子名称: Tail tube protein
著者Campbell, P, Duda, R.L, Nassur, J, Hendrix, R.W, Conway, J.F, Huet, A.
登録日2019-05-23
公開日2019-11-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Mobile Loops and Electrostatic Interactions Maintain the Flexible Tail Tube of Bacteriophage Lambda.
J.Mol.Biol., 432, 2020
6P53
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BU of 6p53 by Molmil
Crystal structure of the transpeptidase domain of PBP2 from Neisseria gonorrhoeae in apo form
分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
2DPB
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BU of 2dpb by Molmil
Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine
分子名称: (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), POTASSIUM ION
著者Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2006-05-08
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules
Nucleic Acids Res., 35, 2007
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
分子名称: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
2DQO
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BU of 2dqo by Molmil
Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine
分子名称: (6-AMINOHEXYL)CARBAMIC ACID, BARIUM ION, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), ...
著者Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2006-05-29
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules
Nucleic Acids Res., 35, 2007
4II0
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BU of 4ii0 by Molmil
Crystal structure of CrataBL, a trypsin inhibitor from Crataeva tapia
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrataBL, GLYCEROL, ...
著者Zhou, D, Wlodawer, A.
登録日2012-12-19
公開日2013-07-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Crataeva tapia Bark Protein (CrataBL) and Its Effect in Human Prostate Cancer Cell Lines.
Plos One, 8, 2013
6F84
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BU of 6f84 by Molmil
AKR1B1 at 2.55 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
1WNB
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BU of 1wnb by Molmil
Escherichia coli YdcW gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETAINE ALDEHYDE, Putative betaine aldehyde dehydrogenase
著者Gruez, A, Roig-Zamboni, V, Tegoni, M, Cambillau, C.
登録日2004-07-29
公開日2004-10-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Kinetics Identify Escherichia coli YdcW Gene Product as a Medium-chain Aldehyde Dehydrogenase
J.Mol.Biol., 343, 2004
6PBF
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BU of 6pbf by Molmil
ZINC9155420-bound TRPV5 in nanodiscs
分子名称: (1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate, Transient receptor potential cation channel subfamily V member 5
著者Hughes, T.E.T, Rosario, J.S.D, Kapoor, A, Yazici, A.T, Fluck, E.C, Filizola, M, Rohacs, T, Moiseenkova-Bell, V.Y.
登録日2019-06-13
公開日2019-11-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure-based characterization of novel TRPV5 inhibitors.
Elife, 8, 2019

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