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3CM7
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BU of 3cm7 by Molmil
Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005
Descriptor: (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Mastrangelo, E, Cossu, F, Milani, M.
Deposit date:2008-03-21
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
2KMX
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BU of 2kmx by Molmil
Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Copper-transporting ATPase 1
Authors:Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A.
Deposit date:2009-08-05
Release date:2009-12-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A.
J.Biol.Chem., 2009
2KNY
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BU of 2kny by Molmil
Fusion construct of CR17 from LRP-1 and ApoE residues 130-149
Descriptor: CALCIUM ION, LRP-1, linker, ...
Authors:Guttman, M, Komives, E.A.
Deposit date:2009-09-08
Release date:2010-04-14
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Structure of the minimal interface between ApoE and LRP.
J.Mol.Biol., 398, 2010
2ZZP
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BU of 2zzp by Molmil
The crystal structure of human Atg4B(C74S)- LC3(1-124) complex
Descriptor: Cysteine protease ATG4B, Microtubule-associated proteins 1A/1B light chain 3B
Authors:Satoo, K, Noda, N.N, Inagaki, F.
Deposit date:2009-02-22
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of Atg4B-LC3 complex reveals the mechanism of LC3 processing and delipidation during autophagy.
Embo J., 28, 2009
304D
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BU of 304d by Molmil
SIDE-BY-SIDE BINDING OF DISTAMYCIN MOLECULES TO D(ICATATIC) IN THE MONOCLINIC FORM
Descriptor: DISTAMYCIN A, DNA (5'-D(*IP*CP*AP*TP*AP*TP*IP*C)-3')
Authors:Chen, X, Ramakrishnan, B, Sundaralingam, M.
Deposit date:1997-01-03
Release date:1997-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the side-by-side binding of distamycin to AT-containing DNA octamers d(ICITACIC) and d(ICATATIC).
J.Mol.Biol., 267, 1997
3HE1
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BU of 3he1 by Molmil
Secreted protein Hcp3 from Pseudomonas aeruginosa.
Descriptor: GLYCEROL, Major exported Hcp3 protein
Authors:Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-07
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of secretory protein Hcp3 from Pseudomonas aeruginosa.
J.Struct.Funct.Genom., 12, 2011
3A62
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BU of 3a62 by Molmil
Crystal structure of phosphorylated p70S6K1
Descriptor: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3HD3
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BU of 3hd3 by Molmil
High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
Descriptor: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ...
Authors:Kerr, I.D, Debnath, M, Brinen, L.S.
Deposit date:2009-05-06
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
3A75
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BU of 3a75 by Molmil
Crystal structure of glutamate complex of halotolerant γ-glutamyltranspeptidase from Bacillus subtilis
Descriptor: GLUTAMIC ACID, Gamma-glutamyltranspeptidase large chain, Gamma-glutamyltranspeptidase small chain
Authors:Wada, K, Fukuyama, K.
Deposit date:2009-09-14
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the halotolerant gamma-glutamyltranspeptidase from Bacillus subtilis in complex with glutamate reveals a unique architecture of the solvent-exposed catalytic pocket
Febs J., 277, 2010
3A89
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BU of 3a89 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 4 hours)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3AAV
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BU of 3aav by Molmil
Bovine beta-trypsin bound to meta-diamidino schiff base copper (II) chelate
Descriptor: 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide), CALCIUM ION, COPPER (II) ION, ...
Authors:Iyaguchi, D, Kawano, S, Toyota, E.
Deposit date:2009-11-26
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
3A61
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BU of 3a61 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form II)
Descriptor: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3HDB
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BU of 3hdb by Molmil
Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAHIV, CALCIUM ION, ...
Authors:Zhu, Z.Q, Niu, L.W, Teng, M.K.
Deposit date:2009-05-07
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of the autolysis of AaHIV suggests a novel target recognizing model for ADAM/reprolysin family proteins
Biochem.Biophys.Res.Commun., 386, 2009
3A7Y
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BU of 3a7y by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide (soaking 2hours)
Descriptor: (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8A
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BU of 3a8a by Molmil
Crystal Structure of Trypsin complexed with 4-formylbenzimidamide and aniline
Descriptor: 4-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3HDA
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BU of 3hda by Molmil
PrtC methionine mutants: M226A_DESY
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3A5U
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BU of 3a5u by Molmil
Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex
Descriptor: DNA (31-MER), Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Manjunath, G.P, Sekar, K, Muniyappa, K, Vijayan, M.
Deposit date:2009-08-12
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex.
To be Published, 2009
3A7Z
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BU of 3a7z by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide (soaking 3hours)
Descriptor: (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8B
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BU of 3a8b by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide
Descriptor: (E)-4-((4-bromophenylimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3D17
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BU of 3d17 by Molmil
A triply ligated crystal structure of relaxed state human hemoglobin
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J.
Deposit date:2008-05-05
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A triply ligated crystal structure of relaxed state human hemoglobin
TO BE PUBLISHED
3D34
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BU of 3d34 by Molmil
Structure of the F-spondin domain of mindin
Descriptor: CALCIUM ION, NICKEL (II) ION, Spondin-2
Authors:Li, Y, Mariuzza, R.A.
Deposit date:2008-05-09
Release date:2009-02-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule.
Embo J., 28, 2009
2JW2
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BU of 2jw2 by Molmil
Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
Descriptor: StAR-related lipid transfer protein 13
Authors:Li, H, Sze, K, Fung, K.
Deposit date:2007-10-03
Release date:2008-10-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
To be Published
2JXO
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BU of 2jxo by Molmil
Structure of the second PDZ domain of NHERF-1
Descriptor: Ezrin-radixin-moesin-binding phosphoprotein 50
Authors:Cheng, H, Li, J, Dai, Z, Bu, Z, Roder, H.
Deposit date:2007-11-27
Release date:2008-12-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Autoinhibitory Interactions between the PDZ2 and C-terminal Domains in the Scaffolding Protein NHERF1
Structure, 17, 2009
3D07
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BU of 3d07 by Molmil
Human p53 core domain with hot spot mutation R249S (III)
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Suad, O, Rozenberg, H, Shakked, Z.
Deposit date:2008-05-01
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
3HEJ
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BU of 3hej by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62R at cryogenic temperature
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ...
Authors:Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
Deposit date:2009-05-08
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Domain swapping promoted by a single mutation that introduces an ionizable group into the hydrophobic core of a protein
To be Published

225399

数据于2024-09-25公开中

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