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3E8R
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BU of 3e8r by Molmil
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
分子名称: (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
7PXM
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BU of 7pxm by Molmil
X-ray structure of LPMO at 1.45x10^6 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PXI
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BU of 7pxi by Molmil
X-ray structure of LPMO at 7.88x10^3 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
5BSH
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BU of 5bsh by Molmil
Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with L-Proline
分子名称: PROLINE, Pyrroline-5-carboxylate reductase
著者Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z.
登録日2015-06-02
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
2ZFF
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BU of 2zff by Molmil
Exploring Thrombin S1-pocket
分子名称: D-phenylalanyl-N-benzyl-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-01-04
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Exploring Thrombin S1-pocket
To be Published
2DCE
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BU of 2dce by Molmil
Solution structure of the SWIRM domain of human KIAA1915 protein
分子名称: KIAA1915 protein
著者Yoneyama, M, Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-01-06
公開日2006-07-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
1NYR
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BU of 1nyr by Molmil
Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, THREONINE, ZINC ION, ...
著者Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D.
登録日2003-02-13
公開日2003-10-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase
J.Mol.Biol., 331, 2003
2DCW
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BU of 2dcw by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
分子名称: Tachystatin-B2
著者Fujitani, N, Kawano, K.
登録日2006-01-16
公開日2007-01-23
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
5ENK
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BU of 5enk by Molmil
Compound 18
分子名称: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
4M9L
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BU of 4m9l by Molmil
DNA Polymerase Beta E295K Soaked with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Downstream Strand, DNA Primer Strand, ...
著者Eckenroth, B.E, Doublie, S.
登録日2013-08-14
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献The E295K Cancer Variant of Human Polymerase beta Favors the Mismatch Conformational Pathway during Nucleotide Selection.
J.Biol.Chem., 288, 2013
1NX9
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BU of 1nx9 by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin
分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase
著者Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W.
登録日2003-02-10
公開日2004-03-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
4GA5
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BU of 4ga5 by Molmil
Crystal structure of AMP phosphorylase C-terminal deletion mutant in the apo-form
分子名称: Putative thymidine phosphorylase
著者Nishitani, Y, Aono, R, Nakamura, A, Sato, T, Atomi, H, Imanaka, T, Miki, K.
登録日2012-07-25
公開日2013-05-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure analysis of archaeal AMP phosphorylase reveals two unique modes of dimerization
J.Mol.Biol., 425, 2013
2TMN
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BU of 2tmn by Molmil
CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
分子名称: CALCIUM ION, N~2~-phosphono-L-leucinamide, Thermolysin, ...
著者Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
5ENY
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BU of 5eny by Molmil
Ketosynthase from module 6 connected to acyl carrier protein from module 5 (unobservable) of the bacillaene synthase from Bacillus subtilis 168
分子名称: Polyketide synthase PksL
著者Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T.
登録日2015-11-09
公開日2015-12-23
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
2ZDA
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BU of 2zda by Molmil
Exploring Thrombin S1 pocket
分子名称: D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, Hirudin variant-1, PHOSPHATE ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2007-11-21
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
2DCV
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BU of 2dcv by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
分子名称: Tachystatin-B1
著者Fujitani, N, Kohno, T.
登録日2006-01-16
公開日2007-01-23
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
2ZDO
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BU of 2zdo by Molmil
Crystal structure of IsdG-N7A in complex with hemin
分子名称: Heme-degrading monooxygenase isdG, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, W.C, Reniere, M.L, Skaar, E.P, Murphy, M.E.P.
登録日2007-11-27
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus
J.Biol.Chem., 283, 2008
7PEJ
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BU of 7pej by Molmil
Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
分子名称: ACETATE ION, PHOSPHATE ION, SULFATE ION, ...
著者Romero-Romero, S, Garza-Ramos, G.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
To Be Published
2ZI8
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BU of 2zi8 by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis in complex with 3,4-dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9,17-dione (DHSA)
分子名称: 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
著者D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
登録日2008-02-13
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009
4M77
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BU of 4m77 by Molmil
Crystal structure of Lsm2-8 complex, space group I212121
分子名称: U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3, U6 snRNA-associated Sm-like protein LSm4, ...
著者Zhou, L, Hang, J, Zhou, Y, Wan, R, Lu, G, Yan, C, Shi, Y.
登録日2013-08-12
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.111 Å)
主引用文献Crystal structures of the Lsm complex bound to the 3' end sequence of U6 small nuclear RNA.
Nature, 506, 2014
5F0P
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BU of 5f0p by Molmil
Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1(L557M) (SeMet labeled)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ...
著者Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A.
登録日2015-11-27
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
分子名称: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-12
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
8T8P
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BU of 8t8p by Molmil
33-mer FliF MS-ring from Salmonella
分子名称: Flagellar M-ring protein
著者Singh, P.K, Iverson, T.M.
登録日2023-06-23
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for directional rotation of the Salmonella flagellum
To Be Published
4GCZ
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BU of 4gcz by Molmil
Structure of a blue-light photoreceptor
分子名称: ADENOSINE-5'-DIPHOSPHATE, Blue-light photoreceptor, Sensor protein fixL, ...
著者Diensthuber, R.P, Bommer, M, Moglich, A.
登録日2012-07-31
公開日2013-06-19
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Full-length structure of a sensor histidine kinase pinpoints coaxial coiled coils as signal transducers and modulators.
Structure, 21, 2013
5BUV
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BU of 5buv by Molmil
X-ray structure of WbcA from Yersinia enterocolitica
分子名称: 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, PHOSPHATE ION, ...
著者Holden, H.M, Salinger, A.J, Brown, H.A, Thoden, J.B.
登録日2015-06-04
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica.
Protein Sci., 24, 2015

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