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PDB: 45697 件

3IER
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Firefly luciferase apo structure (P41 form) with PEG 400 bound
分子名称: Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
7ALF
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BU of 7alf by Molmil
The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
分子名称: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
著者Ramberg, K, Engilberge, S, Crowley, P.B.
登録日2020-10-06
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.261 Å)
主引用文献Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
5A5S
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BU of 5a5s by Molmil
NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3- methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one
分子名称: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5MEP
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BU of 5mep by Molmil
Human Leukocyte Antigen A02 presenting ILGKFLHWL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
4XII
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BU of 4xii by Molmil
X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S.
登録日2015-01-07
公開日2015-07-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Bioorg.Med.Chem., 23, 2015
4R8J
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BU of 4r8j by Molmil
d(TCGGCGCCGA) with lambda-[Ru(TAP)2(dppz)]2+ soaked in D2O
分子名称: BARIUM ION, CHLORIDE ION, DNA (5'-D(*(THM)P*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ...
著者Hall, J.P, Gurung, S.P, Winter, G.W, Cardin, C.J.
登録日2014-09-02
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy.
Nat Chem, 7, 2015
4QPX
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BU of 4qpx by Molmil
NV polymerase post-incorporation-like complex
分子名称: GLYCEROL, MANGANESE (II) ION, Polyprotein, ...
著者Zamyatkin, D.F, Parra, F, Grochulski, P, Ng, K.K.S.
登録日2014-06-25
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of a backtracked state reveals conformational changes similar to the state following nucleotide incorporation in human norovirus polymerase.
Acta Crystallogr.,Sect.D, 70, 2014
2VNN
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BU of 2vnn by Molmil
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2008-02-05
公開日2008-05-20
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
8HT0
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BU of 8ht0 by Molmil
Improved thermostability of a glucose-tolerant glycosidase based on its X-ray crystal structure
分子名称: Beta-glucosidase
著者Dong, P.P, Wu, Y.K.
登録日2022-12-20
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improved thermostability of a glucose-tolerant glycosidase based on its X-ray crystal structure
To Be Published
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
分子名称: Flpp3
著者Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
登録日2019-07-03
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
3IH7
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BU of 3ih7 by Molmil
Crystal structure of catalytically active human 8-oxoguanine glycosylase distally crosslinked to guanine-containing DNA
分子名称: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', 5'-D(AP*TP*CP*TP*GP*GP*AP*CP*CP*TP*GP*CP*A)-3', N-glycosylase/DNA lyase
著者Verdine, G.L, Crenshaw, C.M, Oo, K.S, Kutchukian, P.S.
登録日2009-07-29
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Catalytic Checkpoint in Base Excision by the Human 8-Oxoguanine DNA Glycosylase hOGG1
To be Published
7AWA
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BU of 7awa by Molmil
SctV (SsaV) cytoplasmic domain
分子名称: Secretion system apparatus protein SsaV
著者Matthews-Palmer, T.R.S, Gonzalez-Rodriguez, N, Calcraft, T, Lagercrantz, S, Zachs, T, Yu, X.J, Grabe, G, Holden, D, Nans, A, Rosenthal, P, Rouse, S, Beeby, M.
登録日2020-11-06
公開日2021-04-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the cytoplasmic domain of SctV (SsaV) from the Salmonella SPI-2 injectisome and implications for a pH sensing mechanism.
J.Struct.Biol., 213, 2021
4XBH
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BU of 4xbh by Molmil
Soluble rabbit neprilysin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ...
著者Labiuk, S.L, Grochulski, P, Sygusch, J.
登録日2014-12-16
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献Structures of soluble rabbit neprilysin complexed with phosphoramidon or thiorphan.
Acta Crystallogr.,Sect.F, 75, 2019
6UTT
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BU of 6utt by Molmil
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with calcium
分子名称: ATP-dependent sacrificial sulfur transferase LarE, CALCIUM ION, PHOSPHATE ION, ...
著者Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J.
登録日2019-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
4AVT
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BU of 4avt by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
分子名称: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kolstoe, S.E, Purvis, A, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
6J76
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BU of 6j76 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP
分子名称: Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z.
登録日2019-01-17
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
7B52
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BU of 7b52 by Molmil
VAR2CSA full ectodomain
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
登録日2020-12-03
公開日2021-04-21
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
6UVX
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BU of 6uvx by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, Apo state
分子名称: CALCIUM ION, Phosphoenolpyruvate transferase
著者Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
登録日2019-11-04
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
4AYU
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BU of 4ayu by Molmil
Structure of N-Acetyl-D-Proline bound to serum amyloid P component
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Hughes, P, Kolstoe, S.E, Wood, S.P.
登録日2012-06-22
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
6UW5
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BU of 6uw5 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form
分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
登録日2019-11-04
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6B3F
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BU of 6b3f by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
364D
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BU of 364d by Molmil
3.0 A STRUCTURE OF FRAGMENT I FROM E. COLI 5S RRNA
分子名称: MAGNESIUM ION, RNA (5'-R(*CP*CP*CP*CP*AP*UP*GP*CP*GP*AP*GP*AP*GP*UP*AP*GP*G P*GP*AP*AP*CP*UP*GP*CP*CP*AP*GP*GP*CP*AP*U)-3'), RNA (5'-R(*CP*CP*GP*AP*UP*GP*GP*UP*AP*GP*UP*GP*UP*GP*GP*GP*G *UP*C)-3'), ...
著者Correll, C.C, Freeborn, B, Moore, P.B, Steitz, T.A.
登録日1997-12-08
公開日1998-01-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Metals, motifs, and recognition in the crystal structure of a 5S rRNA domain.
Cell(Cambridge,Mass.), 91, 1997
6B3J
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BU of 6b3j by Molmil
3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex
分子名称: Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D.
登録日2017-09-22
公開日2018-02-21
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex.
Nature, 555, 2018
3IOX
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BU of 3iox by Molmil
Crystal Structure of A3VP1 of AgI/II of Streptococcus mutans
分子名称: AgI/II, CALCIUM ION, SULFITE ION, ...
著者Larson, M.R, Rajashankar, K.R, Patel, M, Robinette, R, Crowley, P, Michalek, S.M, Brady, L.J, Deivanayagam, C.C.
登録日2009-08-14
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices.
Proc.Natl.Acad.Sci.USA, 107, 2010
5ICZ
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BU of 5icz by Molmil
Cetuximab Fab in complex with GQFDLSTRRLKG peptide
分子名称: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-02-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016

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