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2ARY
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BU of 2ary by Molmil
Catalytic domain of Human Calpain-1
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain-1 catalytic subunit
著者Walker, J.R, Davis, T, Lunin, V, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-08-22
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structures of Human Calpains 1 and 9 Imply Diverse Mechanisms of Action and Auto-inhibition
J.Mol.Biol., 366, 2007
5B6W
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BU of 5b6w by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 16 ns after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-06-02
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
4A55
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Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108
著者Hon, W.-C, Berndt, A, Williams, R.L.
登録日2011-10-24
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases.
Oncogene, 31, 2012
5B6Z
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BU of 5b6z by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 1.725 ms us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-06-02
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
4ABA
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BU of 4aba by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
1ZW5
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BU of 1zw5 by Molmil
X-ray structure of Farnesyl diphosphate synthase protein
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ZOLEDRONIC ACID, ...
著者Kavanagh, K.L, Guo, K, Wu, X, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-06-03
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
4ABD
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BU of 4abd by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
5H2L
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BU of 5h2l by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 5.25 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
4AGC
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BU of 4agc by Molmil
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide)
分子名称: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S.
登録日2012-01-26
公開日2012-09-26
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5GS9
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BU of 5gs9 by Molmil
Crystal structure of CASTOR1-arginine
分子名称: ARGININE, GATS-like protein 3
著者Zhang, T, Ding, J.
登録日2016-08-15
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the arginine-binding specificity of CASTOR1 in amino acid-dependent mTORC1 signaling.
Cell Discov, 2, 2016
5UUZ
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BU of 5uuz by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200
分子名称: 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ...
著者Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-17
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200
To Be Published
5BNS
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BU of 5bns by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
1ZQG
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BU of 1zqg by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL MOTHER LIQUOR AT PH 6.5
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
5DA0
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BU of 5da0 by Molmil
Structure of the the SLC26 transporter SLC26Dg in complex with a nanobody
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Nanobody, Sulphate transporter
著者Dutzler, R, Geertsma, E.R, Chang, Y, Shaik, F.R.
登録日2015-08-19
公開日2015-09-09
最終更新日2015-10-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a prokaryotic fumarate transporter reveals the architecture of the SLC26 family.
Nat.Struct.Mol.Biol., 22, 2015
2AWV
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BU of 2awv by Molmil
NMR Structural Analysis of the dimer of 5MCCTCATCC
分子名称: 5'-D(*(MCY)P*CP*TP*CP*AP*CP*TP*CP*C)-3'
著者Canalia, M, Leroy, J.-L.
登録日2005-09-02
公開日2005-09-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure, internal motions and association-dissociation kinetics of the i-motif dimer of d(5mCCTCACTCC).
Nucleic Acids Res., 33, 2005
1ZQS
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BU of 1zqs by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF TLCL (0.5 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
4A63
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BU of 4a63 by Molmil
Crystal structure of the p73-ASPP2 complex at 2.6A resolution
分子名称: ACETATE ION, APOPTOSIS STIMULATING OF P53 PROTEIN 2, TUMOUR PROTEIN 73, ...
著者Canning, P, Sharpe, T, Krojer, T, Savitsky, P, Cooper, C.D.O, Salah, E, Keates, T, Muniz, J, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C, Bountra, C, Edwards, A, Bullock, A.N.
登録日2011-10-31
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73.
J.Mol.Biol., 423, 2012
1ZZB
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BU of 1zzb by Molmil
Crystal Structure of CoII HppE in Complex with Substrate
分子名称: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, COBALT (II) ION, Hydroxypropylphosphonic Acid Epoxidase
著者Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
登録日2005-06-13
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
5DAJ
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BU of 5daj by Molmil
Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-08-20
公開日2016-04-20
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
1ZZR
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BU of 1zzr by Molmil
Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1ZBB
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BU of 1zbb by Molmil
Structure of the 4_601_167 Tetranucleosome
分子名称: DNA STRAND 1 (ARBITRARY MODEL SEQUENCE), DNA STRAND 2 (ARBITRARY MODEL SEQUENCE), HISTONE H3, ...
著者Schalch, T, Duda, S, Sargent, D.F, Richmond, T.J.
登録日2005-04-08
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (9 Å)
主引用文献X-ray structure of a tetranucleosome and its implications for the chromatin fibre.
Nature, 436, 2005
5G68
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BU of 5g68 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)methyl))quinolin-2- amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5VAP
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BU of 5vap by Molmil
Crystal structure of eVP30 C-terminus and eNP peptide
分子名称: Minor nucleoprotein VP30, NP
著者XU, W, WU, C, Leung, D.W, Amarasinghe, G.K.
登録日2017-03-27
公開日2017-06-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
5D6G
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BU of 5d6g by Molmil
CRYSTAL STRUCTURE OF FRAGMENT OF RIBOSOMAL PROTEIN P0 IN COMPLEX WITH 74NT 23S RNA FROM METHANOCOCCUS JANNASCHII
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10, MAGNESIUM ION
著者Gabdulkhakov, A.G, Mitroshin, I.V, Garber, M.B.
登録日2015-08-12
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献CRYSTAL STRUCTURE OF FRAGMENT OF RIBOSOMAL PROTEIN P0 IN COMPLEX WITH 74NT 23S RNA FROM METHANOCOCCUS JANNASCHII
To Be Published

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