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3PI1
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BU of 3pi1 by Molmil
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 9.0
分子名称: Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2010-11-05
公開日2011-11-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
3PIA
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Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F.
登録日2010-11-05
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献

3GQR
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BU of 3gqr by Molmil
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.4 angstrom resolution
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
著者Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
登録日2009-03-24
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.4 angstrom resolution
To be Published
4J1B
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BU of 4j1b by Molmil
X-ray structure of the adduct between hen egg white lysozyme and AziRu (black crystal)
分子名称: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
著者Vergara, A, Merlino, A.
登録日2013-02-01
公開日2013-04-03
最終更新日2013-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu.
Inorg.Chem., 52, 2013
4J1H
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BU of 4j1h by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6R)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
3PHN
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BU of 3phn by Molmil
Crystal structure of wild-type onconase with resolution 1.46 A
分子名称: ACETATE ION, Protein P-30, SULFATE ION
著者Kurpiewska, K, Torrent, G, Ribo, M, Vilanova, M, Loch, J, Lewinski, K.
登録日2010-11-04
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of Rana pipiens wild-type onconase at resolution 1.46 A
To be Published
4BY0
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BU of 4by0 by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R.
登録日2013-07-16
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi
Acs Med.Chem.Lett., 5, 2014
3PI5
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BU of 3pi5 by Molmil
Crystal Structure of Human Beta Secretase in Complex with BFG356
分子名称: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M.
登録日2010-11-05
公開日2011-03-23
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PIR
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BU of 3pir by Molmil
Crystal structure of M-RasD41E in complex with GppNHp (type 1)
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras
著者Muraoka, S, Matsumoto, K, Shima, F, Hu, L, Ijiri, Y, Hirai, R, Liao, J, Kataoka, T.
登録日2010-11-07
公開日2011-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of M-RasD41E in complex with GppNHp (type 1)
To be Published
4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-01
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4C9O
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BU of 4c9o by Molmil
Structure of Cyanide and Camphor bound D259N mutant of CYP101D1
分子名称: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4IRO
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BU of 4iro by Molmil
Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A.
登録日2013-01-15
公開日2013-02-20
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of tertiary structures on the Root effect in fish hemoglobins.
Biochim.Biophys.Acta, 1834, 2013
3WSR
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BU of 3wsr by Molmil
Crystal structure of CLEC-2 in complex with O-glycosylated podoplanin
分子名称: C-type lectin domain family 1 member B, Peptide from Podoplanin, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Nagae, M, Morita-Matsumoto, K, Kato, M, Kato-Kaneko, M, Kato, Y, Yamaguchi, Y.
登録日2014-03-20
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A Platform of C-type Lectin-like Receptor CLEC-2 for Binding O-Glycosylated Podoplanin and Nonglycosylated Rhodocytin
Structure, 22, 2014
4CBO
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BU of 4cbo by Molmil
Crystal structure of Complement Factor D mutant R202A after ensemble refinement
分子名称: COMPLEMENT FACTOR D, GLYCEROL
著者Forneris, F, Burnley, B.T, Gros, P.
登録日2013-10-15
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ensemble Refinement Shows Conformational Flexibility in Crystal Structures of Human Complement Factor D
Acta Crystallogr.,Sect.D, 70, 2014
4AHJ
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BU of 4ahj by Molmil
I46V - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
4C9N
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BU of 4c9n by Molmil
Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
3PM3
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BU of 3pm3 by Molmil
Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2010-11-16
公開日2011-12-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
3H1X
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BU of 3h1x by Molmil
Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site
分子名称: INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
著者Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P.
登録日2009-04-14
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site
J.Mol.Recognit., 22, 2009
4C9K
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BU of 4c9k by Molmil
Structure of Camphor and Hydroxycamphor bound wild type CYP101D1
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4AJZ
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BU of 4ajz by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
登録日2012-02-21
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
4AO1
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BU of 4ao1 by Molmil
High resolution crystal structure of bovine pancreatic ribonuclease crystallized using ionic liquid
分子名称: CHLORIDE ION, RIBONUCLEASE PANCREATIC, SULFATE ION
著者Mukhopadhyay, A, Carvalho, A.L, Kowacz, M, Romao, M.J.
登録日2012-03-23
公開日2012-07-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions
Cryst.Eng.Comm., 14, 2012
4AHK
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BU of 4ahk by Molmil
K54E - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
3GOU
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BU of 3gou by Molmil
Crystal structure of dog (Canis familiaris) hemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Sundaresan, S.S, Ramesh, P, Thenmozhi, M, Ponnuswamy, M.N.
登録日2009-03-20
公開日2009-04-21
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 dog (Canis familiaris) hemoglobin
To be Published
4AJT
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BU of 4ajt by Molmil
The crystal structure of mouse protein-Z dependent protease inhibitor(mZPI)
分子名称: PROTEIN Z-DEPENDENT PROTEASE INHIBITOR
著者Yan, Y, Zhou, A.
登録日2012-02-19
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
4J1K
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013

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