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2ZP5
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Carboxylic ester hydrolase, single mutant d49k of bovine pancreatic pla2 enzyme
分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2
著者Kanaujia, S.P, Sekar, K.
登録日2008-06-27
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures and molecular-dynamics studies of three active-site mutants of bovine pancreatic phospholipase A(2)
Acta Crystallogr.,Sect.D, 64, 2008
4KN3
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BU of 4kn3 by Molmil
Structure of the Y34NS91G double mutant of Dehaloperoxidase from Amphitrite ornata with 2,4,6-trichlorophenol
分子名称: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, C, Lovelace, L, Lebioda, L.
登録日2013-05-08
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
2Z85
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Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded
分子名称: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
4F6G
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BU of 4f6g by Molmil
Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
分子名称: GLYCEROL, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Soman, J, Salter, M.D, Olson, J.S.
登録日2012-05-14
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
To be Published
2ZSQ
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BU of 2zsq by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [150 min]
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
登録日2008-09-17
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSZ
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BU of 2zsz by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [600 min]
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
登録日2008-09-18
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
4F75
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BU of 4f75 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
分子名称: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ...
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
To be Published
4L7J
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BU of 4l7j by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4AW3
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BU of 4aw3 by Molmil
Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group
分子名称: GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ...
著者Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M.
登録日2012-05-30
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
3RH1
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BU of 3rh1 by Molmil
X-ray Structure of a cis-proline (P114) to alanine variant of Ribonuclease A
分子名称: CHLORIDE ION, Ribonuclease pancreatic
著者Merlino, A, Balsamo, A, Mazzarella, L, Sica, F.
登録日2011-04-11
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chain termini cross-talk in the swapping process of bovine pancreatic ribonuclease.
Biochimie, 94, 2012
4L11
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BU of 4l11 by Molmil
Structure of the C-linker/CNBHD of agERG channels
分子名称: AGAP007709-PA
著者Brelidze, T.I.
登録日2013-06-01
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the C-terminal region of an ERG channel and functional implications.
Proc.Natl.Acad.Sci.USA, 110, 2013
2ZW3
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BU of 2zw3 by Molmil
Structure of the connexin-26 gap junction channel at 3.5 angstrom resolution
分子名称: Gap junction beta-2 protein
著者Maeda, S, Nakagawa, S, Suga, M, Yamashita, E, Oshima, A, Fujiyoshi, Y, Tsukihara, T.
登録日2008-12-01
公開日2009-04-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the connexin 26 gap junction channel at 3.5 A resolution
Nature, 458, 2009
2ZDL
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BU of 2zdl by Molmil
Exploring trypsin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Baum, B, Brandt, T, Heine, A, Klebe, G.
登録日2007-11-26
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZFB
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BU of 2zfb by Molmil
Crystal structure of parrot hemoglobin (Psittacula krameri) at pH 7.5
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Jaimohan, S.M, Naresh, M.D, Mandal, A.B.
登録日2007-12-28
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of parrot hemoglobin (Psittacula krameri) at pH 7.5
TO BE PUBLISHED
4L4D
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BU of 4l4d by Molmil
Structure of cyanide and camphor bound P450cam mutant L358A
分子名称: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ...
著者Batabyal, D, Li, H, Poulos, T.L.
登録日2013-06-07
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
2ZIJ
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BU of 2zij by Molmil
Crystal Structure of Human Lysozyme Expressed in E. coli.
分子名称: Lysozyme C, SODIUM ION
著者Tamada, T, Kuroki, R, Koshiba, T.
登録日2008-02-18
公開日2009-01-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preparation and characterization of methyonyl-lysine attached human lysozyme expressed in Escherichia coli and its effective conversion to the authentic-like protein
To be Published
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4BCY
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BU of 4bcy by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, mutation H43F
分子名称: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
著者Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
登録日2012-10-03
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
著者Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
3RFM
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BU of 3rfm by Molmil
Thermostabilised adenosine A2A receptor in complex with caffeine
分子名称: Adenosine receptor A2a, CAFFEINE
著者Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H.
登録日2011-04-06
公開日2011-09-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.598 Å)
主引用文献Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
4FE6
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Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease
著者Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H.
登録日2012-05-29
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4BF4
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BU of 4bf4 by Molmil
PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino group
分子名称: 1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Podust, L.M.
登録日2013-03-14
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Recognition of Synthetic Substrates by P450 Pikc
To be Published
2ZIK
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Crystal Structure of Human Lysozyme from Pichia pastoris
分子名称: Lysozyme C, SODIUM ION
著者Tamada, T, Kuroki, R, Koshiba, T.
登録日2008-02-18
公開日2009-01-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Preparation and characterization of methyonyl-lysine attached human lysozyme expressed in Escherichia coli and its effective conversion to the authentic-like protein
To be Published
4FLG
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HIV-1 protease mutant I47V complexed with reaction intermediate
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Yu, X, Shen, C.H, Weber, I.T.
登録日2012-06-14
公開日2012-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4BFD
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ...
著者Banner, D.W, Benz, J, Stihle, M.
登録日2013-03-18
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013

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