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2F7R
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Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
分子名称: (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-12-01
公開日2006-12-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
To be Published
2FB8
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BU of 2fb8 by Molmil
Structure of the B-Raf kinase domain bound to SB-590885
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
著者Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
登録日2005-12-08
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
3ZVX
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BU of 3zvx by Molmil
STRUCTURE OF THE LECTIN FROM PLATYPODIUM ELEGANS IN COMPLEX WITH A TRIMANNOSIDE
分子名称: CALCIUM ION, GLYCEROL, LECTIN, ...
著者Benevides, R.G, Ganne, G, Unverzagt, C, Cavada, B.S, Breton, C, Varrot, A, Imberty, A.
登録日2011-07-28
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Lectin from Platypodium Elegans with Unusual Specificity and Affinity for Asymmetric Complex N-Glycans.
J.Biol.Chem., 287, 2012
2PT9
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BU of 2pt9 by Molmil
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine and the inhibitor cis-4-methylcyclohexylamine (4MCHA)
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, GLYCEROL, ...
著者Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC)
登録日2007-05-08
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
4H6B
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BU of 4h6b by Molmil
Structural basis for allene oxide cyclization in moss
分子名称: (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ...
著者Neumann, P, Ficner, R.
登録日2012-09-19
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
4N7L
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BU of 4n7l by Molmil
Zinc Substituted Reaction Center M(L214H) Variant of Rhodobacter sphaeroides
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ...
著者Hardjasa, A, Murphy, M.E.P.
登録日2013-10-15
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2014
3ZUN
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BU of 3zun by Molmil
pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound
分子名称: (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, GLYCEROL, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
著者Van Molle, I, Buckley, D, Crews, C.M, Ciulli, A.
登録日2011-07-19
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Elongin-B, Elongin-C, Von Hippel-Lindau Disease Tumor Suppressor Complex
To be Published
3QZE
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BU of 3qze by Molmil
Crystal Structure of DapA (PA1010) at 1.6 A resolution
分子名称: CHLORIDE ION, Dihydrodipicolinate synthase
著者Schnell, R, Sandalova, T, Schneider, G.
登録日2011-03-05
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Plos One, 7, 2012
2F27
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BU of 2f27 by Molmil
Crystal Structure of the Human Sialidase Neu2 E111Q-Q112E Double Mutant in Complex with DANA Inhibitor
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Sialidase 2
著者Chavas, L.M.G, Kato, R, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
登録日2005-11-15
公開日2006-11-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of the Human Sialidase Neu2 E111Q-Q112E Double Mutant in Complex with DANA Inhibitor
To be Published
2WD2
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BU of 2wd2 by Molmil
A chimeric microtubule disruptor with efficacy on a taxane resistant cell line
分子名称: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
著者Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L.
登録日2009-03-19
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
1VG8
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BU of 1vg8 by Molmil
GPPNHP-Bound Rab7
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7
著者Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K.
登録日2004-04-23
公開日2004-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004
4TOF
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BU of 4tof by Molmil
1.65A resolution structure of BfrB (C89S, K96C) crystal form 1 from Pseudomonas aeruginosa
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ...
著者Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
登録日2014-06-05
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
5TA0
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BU of 5ta0 by Molmil
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pluvinage, B, Boraston, A.B, Abbott, W.D.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
3R17
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BU of 3r17 by Molmil
hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R.
登録日2011-03-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
2HUZ
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BU of 2huz by Molmil
Crystal structure of GNPNAT1
分子名称: Glucosamine 6-phosphate N-acetyltransferase
著者Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-07-27
公開日2006-08-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of glucosamine-phosphate N-acetyltransferase 1
To be Published
2VJA
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BU of 2vja by Molmil
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K
分子名称: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M.
登録日2007-12-09
公開日2008-07-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
4BJH
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BU of 4bjh by Molmil
Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA)
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ...
著者Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R.
登録日2013-04-18
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus.
Bmc Biochem., 14, 2013
7F5G
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BU of 7f5g by Molmil
The crystal structure of RBD-Nanobody complex, DL4 (SA4)
分子名称: ACETATE ION, GLYCEROL, Nanobody DL4, ...
著者Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-05-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2.
Int.J.Biol.Macromol., 209, 2022
2VKM
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BU of 2vkm by Molmil
Crystal structure of GRL-8234 bound to BACE (Beta-secretase)
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Hong, L, Tang, J, Ghosh, A.K.
登録日2007-12-04
公開日2008-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
4BFN
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BU of 4bfn by Molmil
Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotetraose
分子名称: GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
著者Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J.
登録日2013-03-21
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family.
Proteins, 82, 2014
3RBD
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BU of 3rbd by Molmil
Dpo4 extension ternary complex with 3'-terminal primer C base opposite the 3-methylcytosine (m3c) lesion
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Rechkoblit, O, Patel, D.J.
登録日2011-03-29
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3ARV
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BU of 3arv by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Sanguinarine
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Chitinase A, GLYCEROL
著者Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
登録日2010-12-09
公開日2011-04-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
2PU2
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BU of 2pu2 by Molmil
AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2007-05-08
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
3Q1I
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BU of 3q1i by Molmil
Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-12-17
公開日2011-04-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
1C32
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SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
著者Bolton, P.H, Marathias, V.M, Wang, K.
登録日1999-07-24
公開日1999-08-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000

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