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2JC6
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BU of 2jc6 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D
Descriptor: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Authors:Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.
Deposit date:2006-12-19
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D
To be Published
3L3C
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BU of 3l3c by Molmil
Crystal structure of the Bacillus anthracis glmS ribozyme bound to Glc6P
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLMS RIBOZYME, MAGNESIUM ION, ...
Authors:Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D.
Deposit date:2009-12-16
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
3L4I
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BU of 3l4i by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-12-20
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
To be Published
3KL8
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BU of 3kl8 by Molmil
CaMKIINtide Inhibitor Complex
Descriptor: Calcium/calmodulin dependent protein kinase II, Calcium/calmodulin-dependent protein kinase II inhibitor 1
Authors:Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H.
Deposit date:2009-11-06
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.372 Å)
Cite:Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation.
Nat.Struct.Mol.Biol., 17, 2010
2KXK
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BU of 2kxk by Molmil
Human Insulin Mutant A22Gly-B31Lys-B32Arg
Descriptor: Insulin A chain, Insulin B chain
Authors:Bocian, W, Kozerski, L.
Deposit date:2010-05-07
Release date:2011-06-01
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Novel recombinant insulin analogue with flexible C - terminus in B chain. NMR structure of biosynthetic engineered A22G-B31K-B32R human insulin monomer in water /acetonitrile solution.
To be Published
3KN0
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BU of 3kn0 by Molmil
Structure of BACE bound to SCH708236
Descriptor: 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3KKO
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BU of 3kko by Molmil
Crystal structure of M-Ras P40D/D41E/L51R in complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras, ...
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
2KV3
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BU of 2kv3 by Molmil
Human Regenerating Gene Type IV (REG IV) PROTEIN, P91S mutant
Descriptor: Regenerating islet-derived protein 4
Authors:Ho, M, Lou, Y, Chen, C.
Deposit date:2010-03-04
Release date:2010-08-18
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Human RegIV protein adopts a typical C-type lectin fold but binds mannan with two calcium-independent sites.
J.Mol.Biol., 402, 2010
2KXD
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BU of 2kxd by Molmil
The structure of SH3-F2
Descriptor: 11-mer peptide,Spectrin alpha chain, non-erythrocytic 1,Spectrin alpha chain, non-erythrocytic 1
Authors:Kutyshenko, V.P, Gushchina, L.V, Khristoforov, V.S, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, I.u.A, Fedyukina, D.V, Filimonov, V.V.
Deposit date:2010-04-30
Release date:2011-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the chimeric protein SH3-F2
Mol.Biol.(Engl.Transl.), 44, 2010
3KMX
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BU of 3kmx by Molmil
Structure of BACE bound to SCH346572
Descriptor: 4-butoxy-3-chlorobenzyl imidothiocarbamate, Beta-secretase 1
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
2KXN
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BU of 2kxn by Molmil
NMR structure of human Tra2beta1 RRM in complex with AAGAAC RNA
Descriptor: 5'-R(*AP*AP*GP*AP*AP*C)-3', Transformer-2 protein homolog beta
Authors:Clery, A, Jayne, S, Benderska, N, Dominguez, C, Stamm, S, Allain, F.H.-T.
Deposit date:2010-05-10
Release date:2011-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis of purine-rich RNA recognition by the human SR-like protein Tra2-beta1
Nat.Struct.Mol.Biol., 18, 2011
2KGT
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BU of 2kgt by Molmil
Solution structure of SH3 domain of PTK6
Descriptor: Tyrosine-protein kinase 6
Authors:Lee, W, Ko, S.
Deposit date:2009-03-18
Release date:2010-03-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The solution structure of SH3 domain of PTK6
To be Published
2KM8
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BU of 2km8 by Molmil
Interdomain RRM packing contributes to RNA recognition in the rna15, hrp1, anchor RNA 3' processing ternary complex
Descriptor: 5'-R(P*UP*AP*UP*AP*UP*AP*UP*AP*AP*UP*AP*AP*U)-3', Nuclear polyadenylated RNA-binding protein 4, mRNA 3'-end-processing protein RNA15
Authors:Leeper, T.C, Varani, G.
Deposit date:2009-07-24
Release date:2010-07-28
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Novel Protein-Protein Contacts Facilitate mRNA 3'-Processing Signal Recognition by Rna15 and Hrp1.
J.Mol.Biol., 401, 2010
3JPV
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BU of 3jpv by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
Descriptor: 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
3JQL
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BU of 3jql by Molmil
Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution
Descriptor: Acidic phospholipase A2 3 (Fragment), Amyloid Beta Peptide, CALCIUM ION
Authors:Mirza, Z, Vikram, G, Singh, N, Sinha, M, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P.
Deposit date:2009-09-07
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of the Complex Formed Between Phospholipase A2 and a Hexapeptide Fragment of Amyloid Beta Peptide, Lys-Leu-Val-Phe-Phe-Ala at 1.2 A Resolution
To be Published
2KT0
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BU of 2kt0 by Molmil
Solution structure of human stem cell transcription factor Nanog homeodomain fragment
Descriptor: Homeobox protein NANOG
Authors:Sahu, S.C, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-01-15
Release date:2010-02-02
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of human stem cell transcription factor Nanog
To be Published
3JTI
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BU of 3jti by Molmil
Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution
Descriptor: CALCIUM ION, Phospholipase A2 isoform 3, octapeptide from Amyloid beta A4 protein
Authors:Pandey, N, Mirza, Z, Vikram, G, Singh, N, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-09-12
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution
To be Published
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
2KOL
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BU of 2kol by Molmil
Solution structure of human SDF1-alpha H25R
Descriptor: Stromal cell-derived factor 1
Authors:Volkman, B.F, Ziarek, J.J, Peterson, F.C, Veldkamp, C.T.
Deposit date:2009-09-24
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of human SDF1-alpha H25R
To be Published
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
Authors:Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
2KUL
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BU of 2kul by Molmil
Solution structure of human vaccinia related kinase 1(VRK1)
Descriptor: Serine/threonine-protein kinase VRK1
Authors:Shin, J, Yoon, H.
Deposit date:2010-02-19
Release date:2011-02-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of human vaccinia related kinase 1(VRK1)
To be Published
3K5C
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BU of 3k5c by Molmil
Human BACE-1 complex with NB-216
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
3J8K
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BU of 3j8k by Molmil
Tilted state of actin, T2
Descriptor: Actin, alpha skeletal muscle
Authors:Galkin, V.E, Orlova, A, Vos, M.R, Schroder, G.F, Egelman, E.H.
Deposit date:2014-11-07
Release date:2015-01-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
3K8Y
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BU of 3k8y by Molmil
Allosteric modulation of H-Ras GTPase
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Buhrman, G, Mattos, C.
Deposit date:2009-10-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Allosteric modulation of Ras positions Q61 for a direct role in catalysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3K91
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Polysulfane Bridge in Cu-Zn Superoxide Dismutase
Descriptor: PENTASULFIDE-SULFUR, Superoxide dismutase [Cu-Zn]
Authors:You, Z, Cao, X, Taylor, A.B, Hart, P.J, Levine, R.L.
Deposit date:2009-10-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of a covalent polysulfane bridge in copper-zinc superoxide dismutase .
Biochemistry, 49, 2010

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数据于2024-10-16公开中

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