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7Y97
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BU of 7y97 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis
Descriptor: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y98
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BU of 7y98 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
Descriptor: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
Authors:Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
3NU0
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BU of 3nu0 by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Descriptor: (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-06
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
3NTZ
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BU of 3ntz by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Descriptor: Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-06
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
3J26
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BU of 3j26 by Molmil
The 3.5 A resolution structure of the Sputnik virophage by cryo-EM
Descriptor: Minor virion protein, capsid protein V20
Authors:Zhang, X.Z.
Deposit date:2012-09-18
Release date:2012-10-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of Sputnik, a virophage, at 3.5-A resolution.
Proc.Natl.Acad.Sci.USA, 109, 2012
3J8D
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BU of 3j8d by Molmil
Cryoelectron microscopy of dengue-Fab E104 complex at pH 5.5
Descriptor: Envelope protein E, antibody E111 Fab fragment, glycoprotein DIII
Authors:Zhang, X.Z, Sheng, J, Austin, S.K, Hoornweg, T, Smit, J.M, Kuhn, R.J, Diamond, M.S, Rossmann, M.G.
Deposit date:2014-10-13
Release date:2014-11-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (26 Å)
Cite:Structure of Acidic pH Dengue Virus Showing the Fusogenic Glycoprotein Trimers.
J.Virol., 89, 2015
3J35
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BU of 3j35 by Molmil
Cryo-EM reconstruction of Dengue virus at 37 C
Descriptor: envelope protein
Authors:Zhang, X.Z, Sheng, J, Plevka, P, Kuhn, R.J, Diamond, M.S, Rossmann, M.G.
Deposit date:2013-02-24
Release date:2013-04-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Dengue structure differs at the temperatures of its human and mosquito hosts.
Proc.Natl.Acad.Sci.USA, 110, 2013
5ZCX
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BU of 5zcx by Molmil
Structure of T20/N39
Descriptor: Envelope glycoprotein, Envelope glycoprotein gp160
Authors:Zhang, X.J, Ding, X.H.
Deposit date:2018-02-21
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
5TD4
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BU of 5td4 by Molmil
Starch binding sites on the Human pancreatic alpha amylase D300N variant complexed with an octaose substrate.
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2016-09-16
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evaluation of the Significance of Starch Surface Binding Sites on Human Pancreatic alpha-Amylase.
Biochemistry, 55, 2016
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7XT1
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BU of 7xt1 by Molmil
Crystal structure of Bypass-of-forespore protein C from Bacillus Subtilis
Descriptor: Protein BofC
Authors:Zhang, X.Y, Jiang, L.G, Huang, M.D.
Deposit date:2022-05-15
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Studies of Bypass of Forespore Protein C from Bacillus Subtilis to Reveal Its Inhibitory Molecular Mechanism for SpoIVB
Catalysts, 12, 2022
7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
Descriptor: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
Deposit date:2020-09-26
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
7YOB
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BU of 7yob by Molmil
Crystal structure of Aldehyde dehydrogenase 1A1 from mouse
Descriptor: Aldehyde dehydrogenase 1A1
Authors:Zhang, X.Y, Ouyang, Z.Q.
Deposit date:2022-08-01
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of aldehyde dehydrogenase 1A1 from mouse.
Biochem.Biophys.Res.Commun., 628, 2022
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
2MQ0
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BU of 2mq0 by Molmil
NMR structure of the c3 domain of human cardiac myosin binding protein-c
Descriptor: Myosin-binding protein C, cardiac-type
Authors:Zhang, X, De, S, Mcintosh, L.P, Paetzel, M.
Deposit date:2014-06-10
Release date:2014-07-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of the C3 Domain of Cardiac Myosin Binding Protein C and Its Hypertrophic Cardiomyopathy-Related R502W Mutant.
Biochemistry, 53, 2014
2MQ3
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BU of 2mq3 by Molmil
NMR structure of the c3 domain of human cardiac myosin binding protein-c with a hypertrophic cardiomyopathy-related mutation R502W.
Descriptor: Myosin-binding protein C, cardiac-type
Authors:Zhang, X, De, S, Mcintosh, L.P, Paetzel, M.
Deposit date:2014-06-12
Release date:2014-07-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of the C3 Domain of Cardiac Myosin Binding Protein C and Its Hypertrophic Cardiomyopathy-Related R502W Mutant.
Biochemistry, 53, 2014
4ISI
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BU of 4isi by Molmil
Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE
Descriptor: (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A.
Deposit date:2013-01-16
Release date:2013-02-27
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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
Descriptor: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
Authors:Zhang, X, Paetzel, M.
Deposit date:2012-08-09
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
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
Descriptor: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
Authors:Zhang, X, Paetzel, M.
Deposit date:2012-08-09
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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.
Descriptor: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
Authors:Zhang, X, Paetzel, M.
Deposit date:2012-08-09
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
8X2I
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BU of 8x2i by Molmil
Cryo-EM structure of the TcsL at pH 5.0 in its open conformation
Descriptor: Cytotoxin-L, ZINC ION
Authors:Zhan, X, Tao, L.
Deposit date:2023-11-09
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
8X2H
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BU of 8x2h by Molmil
Cryo-EM structure of the TcsL at pH 5.0 in its closed conformation
Descriptor: Cytotoxin-L, ZINC ION
Authors:Zhan, X, Tao, L.
Deposit date:2023-11-09
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
7VT0
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BU of 7vt0 by Molmil
Dimer structure of SORLA
Descriptor: Sortilin-related receptor
Authors:Xi, Z, Cang, W, Chuang, L.
Deposit date:2021-10-27
Release date:2022-11-02
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures reveal distinct apo conformations of sortilin-related receptor SORLA.
Biochem.Biophys.Res.Commun., 600, 2022
3UDC
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BU of 3udc by Molmil
Crystal structure of a membrane protein
Descriptor: Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel
Authors:Li, W, Ge, J, Yang, M.
Deposit date:2011-10-28
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.355 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012

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数据于2024-06-26公开中

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