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1XLU
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BU of 1xlu by Molmil
X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after Aging
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
3NLZ
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BU of 3nlz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-06-21
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
6IZ0
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BU of 6iz0 by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A
Authors:Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
3NEN
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BU of 3nen by Molmil
Unliganded aspartyl-tRNA synthetase from thermococcus kodakarensis
Descriptor: Aspartyl-tRNA synthetase
Authors:Schmitt, E, Moras, D, Moulinier, L.
Deposit date:2010-06-09
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation
Embo J., 17, 1998
1XMI
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BU of 1xmi by Molmil
Crystal structure of human F508A NBD1 domain with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX
Deposit date:2004-10-02
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
2ZP0
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BU of 2zp0 by Molmil
Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H.
Deposit date:2008-06-20
Release date:2008-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin
LETT.DRUG DES.DISCOVERY, 2, 2005
8QD0
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BU of 8qd0 by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR2
Descriptor: CHOLINE ION, Heme transporter FLVCR2
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
2ZQS
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BU of 2zqs by Molmil
Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
Authors:Jobichen, C, Liou, Y.C, Sivaraman, J.
Deposit date:2008-08-19
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structural studies on PIN1 mutants
To be Published
8QCT
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BU of 8qct by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR1
Descriptor: CHOLINE ION, Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8PW6
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BU of 8pw6 by Molmil
C respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8PW7
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BU of 8pw7 by Molmil
A respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
3N5Z
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BU of 3n5z by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)ethyl)-6-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
8PW5
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BU of 8pw5 by Molmil
CS respirasome from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-07-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
3N6D
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BU of 3n6d by Molmil
Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CACODYLIC ACID, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
1YKC
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BU of 1ykc by Molmil
human glutathione S-transferase m2-2 (E.C.2.5.1.18) complexed with glutathione-disulfide
Descriptor: Glutathione S-transferase Mu 2, OXIDIZED GLUTATHIONE DISULFIDE
Authors:Patskovsky, Y.V, Patskovska, L.N, Listowsky, I, Almo, S.C.
Deposit date:2005-01-17
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective Inhibitors of Prostaglandin Synthase activity of human glutathione S-transferase M2-2
To be Published
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
Authors:Shen, H, Liu, D, Lei, J, Yan, N.
Deposit date:2019-01-19
Release date:2019-02-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
3NLF
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BU of 3nlf by Molmil
Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Ji, H, Delker, S.L, Li, H, Martasek, P, Roman, L, Poulos, T.L, Silverman, R.B.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
3NLR
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BU of 3nlr by Molmil
Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
2VXR
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BU of 2vxr by Molmil
Crystal Structure of the Botulinum Neurotoxin serotype G binding domain
Descriptor: BOTULINUM NEUROTOXIN TYPE G, GLYCEROL, SULFATE ION
Authors:Stenmark, P, Dupuy, J, Stevens, R.C.
Deposit date:2008-07-08
Release date:2009-07-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Botulinum Neurotoxin Type G Binding Domain: Insight Into Cell Surface Binding.
J.Mol.Biol., 397, 2010
6JAK
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BU of 6jak by Molmil
OtsA apo structure
Descriptor: Trehalose-6-phosphate synthase
Authors:Wang, S, Zhao, Y, Wang, D, Liu, J.
Deposit date:2019-01-24
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
3NMT
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BU of 3nmt by Molmil
Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase HAB1
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E.
Deposit date:2010-06-22
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
6JEM
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BU of 6jem by Molmil
Structure of Phytolacca americana UGT2 complexed with UDP-2fluoro-glucose and resveratrol
Descriptor: Glycosyltransferase, RESVERATROL, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Maharjan, R, Fukuda, Y, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T.
Deposit date:2019-02-06
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Biochemistry, 59, 2020
8POO
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BU of 8poo by Molmil
Low resolution structure of inactive conformation of the Ktr cation channel in presence of ATP and c-di-AMP
Descriptor: Ktr system potassium uptake protein A, Ktr system potassium uptake protein B
Authors:Cereija, T.B, Teixeira-Duarte, C.M, Morais-Cabral, J.H.
Deposit date:2023-07-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (5.77 Å)
Cite:c-di-AMP determines the hierarchical organization of bacterial RCK proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
3NN6
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BU of 3nn6 by Molmil
Crystal structure of inhibitor-bound in active centre 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans
Descriptor: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, (2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
Authors:Kachalova, G.S, Bartunik, H.D.
Deposit date:2010-06-23
Release date:2011-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
8Q2P
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BU of 8q2p by Molmil
Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli by using Se-MAG for the the lipid cubic phase crystallization
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Apolipoprotein N-acyltransferase, ...
Authors:Huang, C.-Y, Boland, C, Kaki, S.S, Wang, M, Olieric, V, Caffrey, M.
Deposit date:2023-08-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Se-MAG Is a Convenient Additive for Experimental Phasing and Structure Determination of Membrane Proteins Crystallised by the Lipid Cubic Phase (In Meso) Method
Crystals, 2023

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數據於2024-07-31公開中

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