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5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
7AV7
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BU of 7av7 by Molmil
Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+
Descriptor: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ...
Authors:Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
Deposit date:2020-11-04
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
6RAH
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BU of 6rah by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAG
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BU of 6rag by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAL
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BU of 6ral by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAI
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BU of 6rai by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAM
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BU of 6ram by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAJ
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BU of 6raj by Molmil
Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAN
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BU of 6ran by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing wide conformation
Descriptor: Multidrug resistance ABC transporter ATP-binding and permease protein, Nanobody Nb9F10
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAK
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BU of 6rak by Molmil
Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing occluded conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
3N9D
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BU of 3n9d by Molmil
Monoclinic Structure of P. aeruginosa LigD phosphoesterase domain
Descriptor: MANGANESE (II) ION, Probable ATP-dependent DNA ligase, SULFATE ION, ...
Authors:Shuman, S, Nair, P, Smith, P.
Deposit date:2010-05-28
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily
Proc.Natl.Acad.Sci.USA, 107, 2010
3N9B
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BU of 3n9b by Molmil
Crystal Structure of the P. aeruginosa LigD phosphoesterase domain
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Shuman, S, Nair, P, Smith, P.
Deposit date:2010-05-28
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily
Proc.Natl.Acad.Sci.USA, 107, 2010
3QV1
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BU of 3qv1 by Molmil
Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana.
Descriptor: 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P.
Deposit date:2011-02-25
Release date:2012-02-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
5C9J
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BU of 5c9j by Molmil
Human CD1c with ligands in A' and F' channel
Descriptor: Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ...
Authors:Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D.
Deposit date:2015-06-27
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
Descriptor: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Gutmann, S, Hinniger, A.
Deposit date:2019-07-11
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
8CO4
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BU of 8co4 by Molmil
Crystal structure of apo S-nitrosoglutathione reductase from Arabidopsis thalina
Descriptor: 1,2-ETHANEDIOL, Alcohol dehydrogenase class-3, DI(HYDROXYETHYL)ETHER, ...
Authors:Fermani, S, Fanti, S, Carloni, G, Rossi, J, Falini, G, Zaffagnini, M.
Deposit date:2023-02-27
Release date:2024-02-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
8CPO
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BU of 8cpo by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A
Descriptor: PolB16 Intein Cys-less
Authors:Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D.
Deposit date:2023-03-03
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
8CPN
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BU of 8cpn by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A
Descriptor: IODIDE ION, PolB16 intein
Authors:Kattelmann, S, Pasch, T, Mootz, H.D, Kummel, D.
Deposit date:2023-03-03
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023
3KGD
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BU of 3kgd by Molmil
Crystal structure of E. coli RNA 3' cyclase
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ...
Authors:Shuman, S, Tanaka, N, Smith, P.
Deposit date:2009-10-28
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Structure, 18, 2010
4LRR
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BU of 4lrr by Molmil
Ternary complex between E. coli thymidylate synthase, dUMP, and F9
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ...
Authors:Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P.
Deposit date:2013-07-20
Release date:2013-11-06
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
8G1R
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BU of 8g1r by Molmil
A Vibrio cholerae viral satellite enables efficient horizontal transfer by using an external scaffold to assemble hijacked coat proteins into small capsids
Descriptor: Serine protease, major head protein
Authors:Subramanian, S, Boyd, C.M, Seed, K.D, Parent, K.N.
Deposit date:2023-02-02
Release date:2024-01-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A Vibrio cholerae viral satellite maximizes its spread and inhibits phage by remodeling hijacked phage coat proteins into small capsids.
Biorxiv, 2023
6NHZ
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BU of 6nhz by Molmil
mycobacterial DNA ligase D complexed with ATP and Mg
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent DNA ligase, MAGNESIUM ION
Authors:Shuman, S, Unciuleac, M, Goldgur, Y.
Deposit date:2018-12-24
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
6NTD
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BU of 6ntd by Molmil
Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F.
Deposit date:2019-01-28
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
4MKN
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BU of 4mkn by Molmil
Crystal structure of chloroplastic triosephosphate isomerase from Chlamydomonas reinhardtii at 1.1 A of resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Triosephosphate isomerase
Authors:Fermani, S, Sciabolini, C, Zaffagnini, M, Lemaire, S.D.
Deposit date:2013-09-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Resolution Crystal Structure and Redox Properties of Chloroplastic Triosephosphate Isomerase from Chlamydomonas reinhardtii.
Mol Plant, 7, 2014

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數據於2024-10-16公開中

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