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4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
3UA1
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BU of 3ua1 by Molmil
Crystal structure of the cytochrome P4503A4-bromoergocryptine complex
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, bromoergocryptine
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2011-10-20
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand.
J.Biol.Chem., 287, 2012
4IAW
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BU of 4iaw by Molmil
Engineered human lipocalin 2 (C26) in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION
Authors:Eichinger, A, Skerra, A.
Deposit date:2012-12-07
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
J.Struct.Biol., 185, 2014
1RM5
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BU of 1rm5 by Molmil
Crystal structure of mutant S188A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP
Descriptor: Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P.
Deposit date:2003-11-27
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin
J.Mol.Biol., 340, 2004
4AK7
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BU of 4ak7 by Molmil
Crystal structure of BpGH117_E303Q in complex with neoagarobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ANHYDRO-ALPHA-L-GALACTOSIDASE, ...
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
1PJ3
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BU of 1pj3 by Molmil
Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate pyruvate, cofactor NAD+, Mn++, and allosteric activator fumarate.
Descriptor: FUMARIC ACID, MANGANESE (II) ION, NAD-dependent malic enzyme, ...
Authors:Tao, X, Yang, Z, Tong, L.
Deposit date:2003-05-30
Release date:2003-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism.
Structure, 11, 2003
5NG2
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BU of 5ng2 by Molmil
Structure of RIP2K(D146N) with bound Staurosporine
Descriptor: PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE
Authors:Pellegrini, E, Cusack, S.
Deposit date:2017-03-16
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
7U0H
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BU of 7u0h by Molmil
State NE1 nucleolar 60S ribosome biogenesis intermediate - Overall model
Descriptor: 25S rRNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, 5.8S rRNA, ...
Authors:Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
Deposit date:2022-02-18
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
3RZZ
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BU of 3rzz by Molmil
Structure of Hydroxyethylphoshphonate Dioxygenase Y98F Mutant
Descriptor: CADMIUM ION, Hydroxyethylphoshphonate Dioxygenase (PhpD)
Authors:Cooke, H.A.
Deposit date:2011-05-12
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism and substrate recognition of 2-hydroxyethylphosphonate dioxygenase.
Biochemistry, 50, 2011
3RUK
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BU of 3ruk by Molmil
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-05-05
Release date:2012-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
5NG0
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BU of 5ng0 by Molmil
Structure of RIP2K(L294F) with bound AMPPCP
Descriptor: COBALT (II) ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Pellegrini, E, Cusack, S.
Deposit date:2017-03-16
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
1K45
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BU of 1k45 by Molmil
The Solution Structure of the CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase.
Descriptor: Xylanase
Authors:Simpson, P.J, Jamieson, S.J, Abou-Hachem, M, Nordberg-Karlsson, E, Gilbert, H.J, Holst, O, Williamson, M.P.
Deposit date:2001-10-05
Release date:2002-05-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the CBM4-2 carbohydrate binding module from a thermostable Rhodothermus marinus xylanase.
Biochemistry, 41, 2002
3P1S
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BU of 3p1s by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
3NTW
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BU of 3ntw by Molmil
Structure of the MLLE domain of EDD in complex with a PAM2 peptide from Paip1
Descriptor: E3 ubiquitin-protein ligase UBR5, Polyadenylate-binding protein-interacting protein 1
Authors:Kozlov, G, Gehring, K.
Deposit date:2010-07-05
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The MLLE domain of the ubiquitin ligase UBR5 binds to its catalytic domain to regulate substrate binding.
J. Biol. Chem., 290, 2015
4IAX
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BU of 4iax by Molmil
Engineered human lipocalin 2 (CL31) in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION
Authors:Eichinger, A, Skerra, A.
Deposit date:2012-12-07
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
J.Struct.Biol., 185, 2014
1HOZ
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BU of 1hoz by Molmil
CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX
Descriptor: CALCIUM ION, GLYCEROL, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE
Authors:Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J.
Deposit date:2000-12-12
Release date:2001-12-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
3P1R
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BU of 3p1r by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
1HVX
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BU of 1hvx by Molmil
BACILLUS STEAROTHERMOPHILUS ALPHA-AMYLASE
Descriptor: ALPHA-AMYLASE, CALCIUM ION, SODIUM ION
Authors:Suvd, D, Fujimoto, Z, Takase, K, Matsumura, M, Mizuno, H.
Deposit date:2001-01-08
Release date:2001-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Bacillus stearothermophilus alpha-amylase: possible factors determining the thermostability.
J.Biochem., 129, 2001
6CGR
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BU of 6cgr by Molmil
CryoEM structure of herpes simplex virus 1 capsid with associated tegument protein complexes.
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Dai, X.H, Zhou, Z.H.
Deposit date:2018-02-20
Release date:2018-03-14
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the herpes simplex virus 1 capsid with associated tegument protein complexes.
Science, 360, 2018
4H39
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BU of 4h39 by Molmil
Crystal Structure of JNK3 in Complex with JIP1 Peptide
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10
Authors:Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V.
Deposit date:2012-09-13
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases.
Structure, 20, 2012
1K42
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BU of 1k42 by Molmil
The Solution Structure of the CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase.
Descriptor: Xylanase
Authors:Simpson, P.J, Jamieson, S.J, Abou-Hachem, M, Nordberg-Karlsson, E, Gilbert, H.J, Holst, O, Williamson, M.P.
Deposit date:2001-10-05
Release date:2002-05-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the CBM4-2 carbohydrate binding module from a thermostable Rhodothermus marinus xylanase.
Biochemistry, 41, 2002
4AW3
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BU of 4aw3 by Molmil
Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group
Descriptor: GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ...
Authors:Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M.
Deposit date:2012-05-30
Release date:2012-09-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
1Q8F
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BU of 1q8f by Molmil
Crystal Structure of the E.coli pyrimidine nucleoside hydrolase yeiK
Descriptor: CALCIUM ION, GLYCEROL, Pyrimidine nucleoside hydrolase
Authors:Giabbai, B, Degano, M.
Deposit date:2003-08-21
Release date:2004-05-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure to 1.7 a of the Escherichia coli pyrimidine nucleoside hydrolase YeiK, a novel candidate for cancer gene therapy.
STRUCTURE, 12, 2004
4G0K
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BU of 4g0k by Molmil
Glutathionyl-hydroquinone reductase, YqjG, of E.coli complexed with GS-menadione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine, SULFATE ION, ...
Authors:Green, A.R, Hayes, R.P, Xun, L, Kang, C.
Deposit date:2012-07-09
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.557 Å)
Cite:Structural understanding of the glutathione-dependent reduction mechanism of glutathionyl-hydroquinone reductases.
J.Biol.Chem., 287, 2012
4G1W
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BU of 4g1w by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 7-Fluoro-3-[4-(2-hydroxy-ethanesulfonyl)-benzyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of JNK1 in complex with JIP1 peptide and inhibitor
To be Published

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數據於2024-07-31公開中

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