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3NCL
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BU of 3ncl by Molmil
Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor
Descriptor: FORMIC ACID, Suppressor of tumorigenicity 14 protein, phenyl (4-carbamimidoylbenzyl)phosphonate
Authors:Ray, M, Brown, C, Egea, P.
Deposit date:2010-06-04
Release date:2011-02-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Peptide length and leaving-group sterics influence potency of Peptide phosphonate protease inhibitors.
Chem.Biol., 18, 2011
3NI8
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BU of 3ni8 by Molmil
Crystal Structure of PFC0360w, an HSP90 activator from plasmodium falciparum
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, PFC0360w protein
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Pizzaro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-06-15
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of PFC0360w, an HSP90 activator from plasmodium falciparum
To be Published
8BVB
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BU of 8bvb by Molmil
Crystal structure of the apo form of SmbA loop deletion mutant.
Descriptor: Aldo_ket_red domain-containing protein
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2022-12-02
Release date:2023-01-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutant structure of metabolic switch protein in complex with monomeric c-di-GMP reveals a potential mechanism of protein-mediated ligand dimerization.
Sci Rep, 13, 2023
6KSD
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BU of 6ksd by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
3NUD
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BU of 3nud by Molmil
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis complexed with phenylalanine
Descriptor: PHENYLALANINE, PHOSPHATE ION, Probable 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase AroG
Authors:Parker, E.J, Jameson, G.B, Jiao, W, Webby, C.J, Baker, E.N, Baker, H.M.
Deposit date:2010-07-06
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
6R0E
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BU of 6r0e by Molmil
Structure of F11TCR in complex with DR1 MHC Class II presenting PKYVKQNTLKLAT
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, F11-TCR Alpha Chain, ...
Authors:Rizkallah, P.J, Greenshields-Watson, A.L.
Deposit date:2019-03-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
2YL9
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BU of 2yl9 by Molmil
INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE
Authors:Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-06-01
Release date:2011-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
6KRH
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BU of 6krh by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
6KVY
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BU of 6kvy by Molmil
The structure of EanB/T414A complex with hercynine
Descriptor: CHLORIDE ION, MAGNESIUM ION, N,N,N-trimethyl-histidine, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The structure of EanB/T414A complex with hercynine
To Be Published
6KSC
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BU of 6ksc by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
3NYA
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BU of 3nya by Molmil
Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ...
Authors:Brown, M.A, Wacker, D, Fenalti, G, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
3NZN
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BU of 3nzn by Molmil
The crystal structure of the Glutaredoxin from Methanosarcina mazei Go1
Descriptor: GLYCEROL, Glutaredoxin, SULFATE ION
Authors:Zhang, R, Wu, R, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-07-16
Release date:2010-07-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The crystal structure of the Glutaredoxin from Methanosarcina mazei Go1
To be Published
8CHH
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BU of 8chh by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction method for spin-diffusion with PDB 2NUZ as reference
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
6QQC
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BU of 6qqc by Molmil
Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 110 kGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Gotthard, G, Aumonier, S, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
8C3N
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BU of 8c3n by Molmil
Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22
Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-12-27
Release date:2023-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8CF4
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BU of 8cf4 by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-02
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CHG
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BU of 8chg by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction for dipolar truncation with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
6QPR
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BU of 6qpr by Molmil
Rhizomucor miehei lipase propeptide complex, Ser95/Ile96 deletion mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase
Authors:Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S.
Deposit date:2019-02-14
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme.
Acs Omega, 4, 2019
2Y9Y
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BU of 2y9y by Molmil
Chromatin Remodeling Factor ISW1a(del_ATPase)
Descriptor: IMITATION SWITCH PROTEIN 1 (DEL_ATPASE), ISWI ONE COMPLEX PROTEIN 3
Authors:Yamada, K, Frouws, T.D, Angst, B, Fitzgerald, D.J, DeLuca, C, Schimmele, K, Sargent, D.F, Richmond, T.J.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and Mechanism of the Chromatin Remodelling Factor Isw1A.
Nature, 472, 2011
2WQJ
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BU of 2wqj by Molmil
Crystal structure of a truncated variant of the human p73 tetramerization domain
Descriptor: TUMOR PROTEIN P73
Authors:Joerger, A.C.
Deposit date:2009-08-21
Release date:2009-10-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
Authors:Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
2WME
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BU of 2wme by Molmil
Crystallographic structure of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa
Descriptor: BETA-MERCAPTOETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, GLYCEROL, ...
Authors:Gonzalez-Segura, L, Rudino-Pinera, E, Munoz-Clares, R.A, Horjales, E.
Deposit date:2009-06-30
Release date:2009-08-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Ternary Complex of Betaine Aldehyde Dehydrogenase from Pseudomonas Aeruginosa Provides New Insight Into the Reaction Mechanism and Shows a Novel Binding Mode of the 2'- Phosphate of Nadp(+) and a Novel Cation Binding Site.
J.Mol.Biol., 385, 2009

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数据于2024-11-06公开中

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