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3MU3
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BU of 3mu3 by Molmil
Crystal structure of chicken MD-1 complexed with lipid IVa
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, GLYCEROL, ...
著者Yoon, S.I, Hong, M, Han, G.W, Wilson, I.A.
登録日2010-05-01
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of soluble MD-1 and its interaction with lipid IVa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N2J
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BU of 3n2j by Molmil
Azurin H117G, oxidized form
分子名称: Azurin, COPPER (II) ION
著者Hoffmann, M, Alagaratnam, S, Canters, G.W, Einsle, O.
登録日2010-05-18
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Probing the reactivity of different forms of azurin by flavin photoreduction.
Febs J., 278, 2011
3PBL
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BU of 3pbl by Molmil
Structure of the human dopamine D3 receptor in complex with eticlopride
分子名称: 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ...
著者Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-10-20
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
3PHY
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BU of 3phy by Molmil
PHOTOACTIVE YELLOW PROTEIN, DARK STATE (UNBLEACHED), SOLUTION STRUCTURE, NMR, 26 STRUCTURES
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Dux, P, Rubinstenn, G, Vuister, G.W, Boelens, R, Mulder, F.A.A, Hard, K, Hoff, W.D, Kroon, A, Crielaard, W, Hellingwerf, K.J, Kaptein, R.
登録日1998-02-06
公開日1998-05-27
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of the photoactive yellow protein.
Biochemistry, 37, 1998
3QAK
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BU of 3qak by Molmil
Agonist bound structure of the human adenosine A2a receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,lysozyme chimera
著者Xu, F, Wu, H, Katritch, V, Han, G.W, Cherezov, V, Stevens, R, GPCR Network (GPCR)
登録日2011-01-11
公開日2011-03-09
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure of an agonist-bound human A2A adenosine receptor.
Science, 332, 2011
3QIX
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BU of 3qix by Molmil
Crystal Structure of BoNT/A LC with Zinc bound
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
著者Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
登録日2011-05-11
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
3S2Y
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BU of 3s2y by Molmil
Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii
分子名称: CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ...
著者Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E.
登録日2011-05-17
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
3PJJ
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BU of 3pjj by Molmil
Synthetic Dimer of Human Carbonic Anhydrase II
分子名称: 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Kwant, R.L, Moustakas, D.T, Mack, E.T, Butte, M.J, Whitesides, G.W.
登録日2010-11-10
公開日2012-01-18
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献One Interface Stabilizes Linear Chains in All Polymorphs of Crystals of Human Carbonic Anhydrase II
To be Published
3PS5
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BU of 3ps5 by Molmil
Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W.
登録日2010-11-30
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
J.Cell.Biochem., 112, 2011
3PME
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BU of 3pme by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
分子名称: GLYCEROL, SULFATE ION, Type C neurotoxin
著者Zhang, Y, Buchko, G.W, Qin, L, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-11-16
公開日2010-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of the receptor binding domain of the botulinum C-D mosaic neurotoxin reveals potential roles of lysines 1118 and 1136 in membrane interactions.
Biochem.Biophys.Res.Commun., 404, 2011
3SC8
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BU of 3sc8 by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3
分子名称: 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Human telomeric repeat sequence, POTASSIUM ION
著者Collie, G.W, Promontorio, R, Parkinson, G.N.
登録日2011-06-07
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
3QJ0
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BU of 3qj0 by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
分子名称: (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ...
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIZ
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BU of 3qiz by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2
分子名称: (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ...
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3T5E
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BU of 3t5e by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-4
分子名称: 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence
著者Collie, G.W, Promontorio, R, Parkinson, G.N.
登録日2011-07-27
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
3QCR
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BU of 3qcr by Molmil
Incomplete structural model of a human telomeric DNA quadruplex-acridine complex.
分子名称: Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION
著者Collie, G.W, Neidle, S, Parkinson, G.N.
登録日2011-01-17
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
3QIY
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BU of 3qiy by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1
分子名称: 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ...
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3TU8
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BU of 3tu8 by Molmil
Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1)
分子名称: BROMIDE ION, Burkholderia Lethal Factor 1 (BLF1)
著者Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W.
登録日2011-09-16
公開日2011-11-30
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-12-17
公開日2008-01-15
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
8V1K
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BU of 8v1k by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Outer-membrane lipoprotein carrier protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-11-20
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
To be published
8UZ8
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BU of 8uz8 by Molmil
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
分子名称: 1,4-BUTANEDIOL, 2-oxoglutarate:acceptor oxidoreductase, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-11-14
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
To be published
6RS6
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BU of 6rs6 by Molmil
X-ray crystal structure of LsAA9B
分子名称: AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
7S5O
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BU of 7s5o by Molmil
Crystal structure of Cytochrome c' beta from Nitrosomonas europaea ATCC 19718
分子名称: ACETATE ION, Cytochrome_P460 domain-containing protein, HEME C, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-09-11
公開日2022-03-30
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Characterization of Cytochrome c ' beta-Met from an Ammonia-Oxidizing Bacterium.
Biochemistry, 61, 2022
8HWY
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BU of 8hwy by Molmil
Ancestral imine reductase mutant N559_M6
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ancestral imine reductase mutant N559_M6
著者Zhu, X.X.
登録日2023-01-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The evolution of stereoselectivity in imine reductase
To Be Published
4XJ8
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BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

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