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8EFG
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BU of 8efg by Molmil
Crystal structure of human TATDN1 bound to dAMP and two zinc ions
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ADENINE, ...
Authors:Dorival, J, Eichman, B.F.
Deposit date:2022-09-08
Release date:2023-02-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human and bacterial TatD enzymes exhibit apurinic/apyrimidinic (AP) endonuclease activity.
Nucleic Acids Res., 51, 2023
1U3D
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BU of 1u3d by Molmil
Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana with AMPPNP bound
Descriptor: CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J.
Deposit date:2004-07-21
Release date:2004-08-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
Descriptor: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EGY
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BU of 8egy by Molmil
Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
6IAG
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BU of 6iag by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-637
Descriptor: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:hPDE4D2 structure with inhibitor NPD-637
To be published
6IBF
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BU of 6ibf by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417
Descriptor: (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-11-29
Release date:2019-12-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:hPDE4D2 structure with inhibitor NPD-417
To be published
6RB2
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BU of 6rb2 by Molmil
Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M.
Deposit date:2019-04-09
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.20001125 Å)
Cite:The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport.
Proc.Natl.Acad.Sci.USA, 117, 2020
6GR4
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BU of 6gr4 by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R
Descriptor: CHLORIDE ION, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Tassone, G, Pozzi, C, Mangani, S, Botta, M.
Deposit date:2018-06-08
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
6HEF
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BU of 6hef by Molmil
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2018-08-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
1TQM
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BU of 1tqm by Molmil
Crystal Structure of A. fulgidus Rio2 Serine Protein Kinase Bound to AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, conserved hypothetical protein
Authors:LaRonde-LeBlanc, N, Wlodawer, A.
Deposit date:2004-06-17
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of A. fulgidus Rio2 Defines a New Family of Serine Protein Kinases
Structure, 12, 2004
1SF8
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BU of 1sf8 by Molmil
Crystal structure of the carboxy-terminal domain of htpG, the E. coli Hsp90
Descriptor: CHLORIDE ION, Chaperone protein htpG, NICKEL (II) ION
Authors:Harris, S.F, Shiau, A.K, Agard, D.A.
Deposit date:2004-02-19
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the carboxy-terminal dimerization domain of htpG, the Escherichia coli Hsp90, reveals a potential substrate binding site.
Structure, 12, 2004
6I5F
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BU of 6i5f by Molmil
Crystal structure of DNA-free E.coli MutS P839E dimer mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ...
Authors:Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K.
Deposit date:2018-11-13
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sharp kinking of a coiled-coil in MutS allows DNA binding and release.
Nucleic Acids Res., 47, 2019
1QBK
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BU of 1qbk by Molmil
STRUCTURE OF THE KARYOPHERIN BETA2-RAN GPPNHP NUCLEAR TRANSPORT COMPLEX
Descriptor: KARYOPHERIN BETA2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Chook, Y.M, Blobel, G.
Deposit date:1999-04-23
Release date:1999-06-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the nuclear transport complex karyopherin-beta2-Ran x GppNHp.
Nature, 399, 1999
1U81
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BU of 1u81 by Molmil
Delta-17 Human ADP Ribosylation Factor 1 Complexed with GDP
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Seidel, R.D, Amor, J.C, Kahn, R.A, Prestegard, J.H.
Deposit date:2004-08-04
Release date:2004-10-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Conformational changes in human Arf1 on nucleotide exchange and deletion of membrane-binding elements.
J.Biol.Chem., 279, 2004
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6E1M
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BU of 6e1m by Molmil
Structure of AtTPC1(DDE) reconstituted in saposin A
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CALCIUM ION, PALMITIC ACID, ...
Authors:Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M.
Deposit date:2018-07-10
Release date:2018-09-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
8FMF
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BU of 8fmf by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (1 tetramer in the AU)
Descriptor: Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
8FMG
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BU of 8fmg by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (3 tetramers in the AU)
Descriptor: Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, MAGNESIUM ION, SAVED domain-containing protein, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
8R4Q
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BU of 8r4q by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.838 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8R4U
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BU of 8r4u by Molmil
Structure of salt-inducible kinase 3 with inhibitors
Descriptor: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.416 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8R4O
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BU of 8r4o by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010

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數據於2024-10-09公開中

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