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1Q6I
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BU of 1q6i by Molmil
Crystal structure of a truncated form of FkpA from Escherichia coli, in complex with immunosuppressant FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FKBP-type peptidyl-prolyl cis-trans isomerase fkpA
Authors:Saul, F.A, Arie, J.-P, Vulliez-le Normand, B, Kahn, R, Betton, J.-M, Bentley, G.A.
Deposit date:2003-08-13
Release date:2004-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional studies of FkpA from Escherichia coli, a cis/trans peptidyl-prolyl isomerase with chaperone activity.
J.Mol.Biol., 335, 2004
6ENE
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BU of 6ene by Molmil
OmpF orthologue from Enterobacter cloacae (OmpE35)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein (Porin), SULFATE ION, ...
Authors:van den Berg, B, Abellon-Ruiz, J, Basle, A.
Deposit date:2017-10-04
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
6EG9
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BU of 6eg9 by Molmil
IRAK4 in complex with Ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ...
Authors:Wang, L, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGE
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BU of 6ege by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGC
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BU of 6egc by Molmil
Single-chain version of 2L4HC2_23 (PDB 5J0K)
Descriptor: SC_2L4HC2_23
Authors:Bick, M.J, Chen, Z, DiMaio, F.
Deposit date:2018-08-19
Release date:2019-05-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 141, 2019
1R0Z
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BU of 1r0z by Molmil
Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
6E67
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BU of 6e67 by Molmil
Structure of beta2 adrenergic receptor fused to a Gs peptide
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor,Endolysin,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Beta-2 adrenergic receptor chimera
Authors:Liu, X, Xu, X, Hilger, D, Tiemann, J, Liu, H, Du, Y, Hirata, K, Sun, X, Guixa-Gonzalez, R, Mathiesen, J, Hildebrand, P, Kobilka, B.
Deposit date:2018-07-24
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
6EBO
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BU of 6ebo by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1R10
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BU of 1r10 by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1QTU
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BU of 1qtu by Molmil
SOLUTION STRUCTURE OF THE ONCOPROTEIN P13MTCP1
Descriptor: PROTEIN (PRODUCT OF THE MTCP1 ONCOGENE)
Authors:Guignard, L, Padilla, A, Mispelter, J, Yang, Y.-S, Stern, M.-H, Lhoste, J.-M, Roumestand, C.
Deposit date:1999-06-29
Release date:2001-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Backbone dynamics and solution structure refinement of the 15N-labeled human oncogenic protein p13MTCP1: comparison with X-ray data.
J.Biomol.NMR, 17, 2000
1QV4
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BU of 1qv4 by Molmil
B-DNA Dodecamer CGTGAATTCACG complexed with minor groove binder methylproamine
Descriptor: 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Squire, C.J, Clark, G.R.
Deposit date:2003-08-26
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
6ENQ
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BU of 6enq by Molmil
Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337)
Descriptor: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D.
Deposit date:2017-10-06
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate.
J. Med. Chem., 61, 2018
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
Descriptor: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EPA
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BU of 6epa by Molmil
Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator IGS-1.76
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, FI18190p1, ...
Authors:Sanchez-Barrena, M.J, Daniel, M, Infantes, L.
Deposit date:2017-10-11
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
J. Med. Chem., 61, 2018
1QV8
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BU of 1qv8 by Molmil
B-DNA Dodecamer d(CGCGAATTCGCG)2 complexed with proamine
Descriptor: 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Squire, C.J, Clark, G.R.
Deposit date:2003-08-27
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
6EBQ
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BU of 6ebq by Molmil
Crystal Structure of the Flavoprotein NrdI from Aerococcus urinae in Oxidized Form
Descriptor: FLAVIN MONONUCLEOTIDE, Protein NrdI
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1R0Y
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BU of 1r0y by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0X
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BU of 1r0x by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0W
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BU of 1r0w by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo
Descriptor: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
6EB6
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BU of 6eb6 by Molmil
Crystal structure of BAX W139A monomer
Descriptor: Apoptosis regulator BAX, FORMIC ACID
Authors:Robin, A.Y.
Deposit date:2018-08-05
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association.
Cell Rep, 27, 2019
6EG8
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BU of 6eg8 by Molmil
Structure of the GDP-bound Gs heterotrimer
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Hilger, D, Liu, X, Aschauer, P, Kobilka, B.K.
Deposit date:2018-08-19
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
6EBZ
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BU of 6ebz by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Boal, A.K.
Deposit date:2018-08-07
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EBP
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BU of 6ebp by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EDH
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BU of 6edh by Molmil
Taurine:2OG dioxygenase (TauD) bound to the vanadyl ion, taurine, and succinate
Descriptor: 2-AMINOETHANESULFONIC ACID, ACETATE ION, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
Authors:Davis, K.M, Altmyer, M, Boal, A.K.
Deposit date:2018-08-09
Release date:2019-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73000407 Å)
Cite:Structure of a Ferryl Mimic in the Archetypal Iron(II)- and 2-(Oxo)-glutarate-Dependent Dioxygenase, TauD.
Biochemistry, 58, 2019
6EGD
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BU of 6egd by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019

226707

數據於2024-10-30公開中

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