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4GJE
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BU of 4gje by Molmil
Crystal structure of the refolded amino-terminal domain of human cardiac troponin C in complex with cadmium
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
4UWV
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BU of 4uwv by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 8)
分子名称: CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ...
著者Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
登録日2014-08-14
公開日2014-12-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
3M5N
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BU of 3m5n by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A
分子名称: NS3/4A, SECTTPC peptide, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
4GJF
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BU of 4gjf by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C mutant L29Q in complex with cadmium
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
4GJG
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BU of 4gjg by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C mutant D2N/V28I/L29Q/G30D (NIQD) in complex with cadmium.
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
2GJ7
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BU of 2gj7 by Molmil
Crystal Structure of a gE-gI/Fc complex
分子名称: Glycoprotein E, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J.
登録日2006-03-30
公開日2006-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging.
Plos Biol., 4, 2006
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
分子名称: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.1752 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
4P5W
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BU of 4p5w by Molmil
Structure of the N- and C-terminal domain fusion of the human mitochondrial aspartate/glutamate carrier Citrin in the calcium-bound state
分子名称: CALCIUM ION, Calcium-binding mitochondrial carrier protein Aralar2,Calcium-binding mitochondrial carrier protein Aralar2
著者Thangaratnarajah, C, Ruprecht, J.J, Kunji, E.R.S.
登録日2014-03-20
公開日2014-11-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Calcium-induced conformational changes of the regulatory domain of human mitochondrial aspartate/glutamate carriers.
Nat Commun, 5, 2014
4UCA
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BU of 4uca by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein
分子名称: NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4G9Z
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BU of 4g9z by Molmil
Lassa nucleoprotein with dsRNA reveals novel mechanism for immune suppression
分子名称: Nucleoprotein, RNA (5'-R(P*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*C)-3'), ...
著者Jiang, X, Huang, Q, Wang, W, Dong, H, Ly, H, Liang, Y, Dong, C, Scottish Structural Proteomics Facility (SSPF)
登録日2012-07-24
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structures of Arenaviral Nucleoproteins with Triphosphate dsRNA Reveal a Unique Mechanism of Immune Suppression.
J.Biol.Chem., 288, 2013
6E3R
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BU of 6e3r by Molmil
Structure of human DNA polymerase beta complexed with 8OA as the template base in a 1-nucleotide gapped DNA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-14
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
6E3V
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BU of 6e3v by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable TTP
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
6E3W
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BU of 6e3w by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable GTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
2G1N
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BU of 2g1n by Molmil
Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin
著者Holsworth, D.D.
登録日2006-02-14
公開日2006-06-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
BIOORG.MED.CHEM.LETT., 16, 2006
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
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
分子名称: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
著者Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
3M5O
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BU of 3m5o by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 5A5B
分子名称: NS3/4A, SULFATE ION, TEDVVCC peptide, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
6DO2
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BU of 6do2 by Molmil
Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine
分子名称: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Endoplasmic reticulum chaperone BiP
著者Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W.
登録日2018-06-08
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine
To Be Published
3LOX
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BU of 3lox by Molmil
HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound
分子名称: (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
著者Prongay, A.J.
登録日2010-02-04
公開日2011-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010
4UC8
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BU of 4uc8 by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal phenylalanine of the Phosphoprotein
分子名称: GLYCEROL, NUCLEOPROTEIN, PHENYLALANINE, ...
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
6R8O
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BU of 6r8o by Molmil
Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
分子名称: 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Graedler, U.
登録日2019-04-02
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
5HUZ
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BU of 5huz by Molmil
Solution structure of coiled coil domain of myosin binding subunit of myosin light chain phosphatase
分子名称: Protein phosphatase 1 regulatory subunit 12A
著者Sharma, A.K, Birrane, G, Anklin, C, Rigby, A.C, Pollak, M, Alper, S.L.
登録日2016-01-27
公開日2016-03-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献To be published
To Be Published
2RB3
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BU of 2rb3 by Molmil
Crystal Structure of Human Saposin D
分子名称: GLYCEROL, Proactivator polypeptide, SULFATE ION
著者Maier, T, Rossman, M, Saenger, W.
登録日2007-09-18
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
Structure, 16, 2008
4PDZ
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BU of 4pdz by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4172
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4WH6
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BU of 4wh6 by Molmil
Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir
分子名称: Genome polyprotein, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, SULFATE ION, ...
著者Soumana, D.I, Ali, A, Schiffer, C.A.
登録日2014-09-20
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014

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