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4HGH
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Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
著者Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
登録日2012-10-08
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
7Z8A
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BU of 7z8a by Molmil
Sam68
分子名称: 1,2-ETHANEDIOL, KHDR1 protein, LITHIUM ION, ...
著者Nadal, M, Fuentes-Prior, P.
登録日2022-03-16
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
7Z89
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Sam68
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Isoform 2 of KH domain-containing, ...
著者Nadal, M, Fuentes-Prior, P.
登録日2022-03-16
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
3ZOX
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BU of 3zox by Molmil
Crystal Structure of N64Del Mutant of Nitrosomonas europaea Cytochrome c552 (monoclinic space group)
分子名称: CYTOCHROME C-552, HEME C
著者Hersleth, H.-P, Can, M, Krucinska, J, Zoppellaro, G, Andersen, N.H, Wedekind, J.E, Andersson, K.K, Bren, K.L.
登録日2013-02-26
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Nitrosomonas Europaea Cytochrome C-552 Variants with Marked Differences in Electronic Structure.
Chembiochem, 14, 2013
7ZAC
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Sam68
分子名称: 1,2-ETHANEDIOL, KHDR1 protein, NITRATE ION
著者Nadal, M, Fuentes-Prior, P.
登録日2022-03-22
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
7ZAB
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Sam68
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Nadal, M, Puestes-Prior, P.
登録日2022-03-22
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
4H3J
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Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile
分子名称: 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-10-17
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
7ZAF
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Sam68
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Nadal, M, Puestes-Prior, P.
登録日2022-03-22
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
4JGF
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Crystal Structure of the Cataract-Causing P23T gamma D-Crystallin Mutant
分子名称: Gamma-crystallin D
著者Ji, F.L, Koharudin, L.M, Jung, J.W, Gronenborn, A.M.
登録日2013-03-01
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the cataract-causing P23T gamma D-crystallin mutant.
Proteins, 81, 2013
7ZAM
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Sam68
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
著者Nadal, M, Fuentes-Prior, P.
登録日2022-03-22
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, 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 (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
4H5T
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BU of 4h5t by Molmil
HSC70 NBD with ADP and Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
3RS7
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BU of 3rs7 by Molmil
H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
2ZSX
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BU of 2zsx by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 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
4J5J
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BU of 4j5j by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Amprenavir
分子名称: CHLORIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Shen, C.H, Weber, I.T.
登録日2013-02-08
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3ZL7
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BU of 3zl7 by Molmil
BACE2 FYNOMER COMPLEX
分子名称: BETA-SECRETASE 2, FYNOMER 2B-H11
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-28
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4GYE
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BU of 4gye by Molmil
MDR 769 HIV-1 Protease in Complex with Reduced P1F
分子名称: P1F peptide, Protease
著者Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C.
登録日2012-09-05
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4J60
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BU of 4j60 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Cyclopentanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanol
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J64
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Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4GZQ
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N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with sialic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
著者Zhu, X, Wilson, I.A.
登録日2012-09-06
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
4J6B
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BU of 4j6b by Molmil
The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, Cytochrome P450 monooxygenase, FORMIC ACID, ...
著者Herzog, K, Hoffmann, K.M.
登録日2013-02-11
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
7YXF
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BU of 7yxf by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-02-16
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
2ZUI
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Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297N)
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T.
登録日2008-10-18
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
TO BE PUBLISHED
3RP2
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BU of 3rp2 by Molmil
THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION
分子名称: RAT MAST CELL PROTEASE II
著者Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B.
登録日1984-09-10
公開日1984-10-29
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of rat mast cell protease II at 1.9-A resolution.
Biochemistry, 27, 1988

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