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8XAK
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BU of 8xak by Molmil
Structure of Pif1-G4 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (34-MER), ...
Authors:Hong, Z, Song, H.
Deposit date:2023-12-04
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Eukaryotic Pif1 helicase unwinds G-quadruplex and dsDNA using a conserved wedge.
Nat Commun, 15, 2024
6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-08-13
Release date:2018-02-21
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6B17
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BU of 6b17 by Molmil
Design of a short thermally stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-09-17
Release date:2018-02-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6O5T
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BU of 6o5t by Molmil
Crystal Structure of VIM-2 with Compound 16
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-03-04
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1RUS
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BU of 1rus by Molmil
CRYSTAL STRUCTURE OF THE BINARY COMPLEX OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE AND ITS PRODUCT, 3-PHOSPHO-D-GLYCERATE
Descriptor: 3-PHOSPHOGLYCERIC ACID, RUBISCO (RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE)
Authors:Lundqvist, T, Schneider, G.
Deposit date:1991-10-10
Release date:1991-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the binary complex of ribulose-1,5-bisphosphate carboxylase and its product, 3-phospho-D-glycerate.
J.Biol.Chem., 264, 1989
8ZBO
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BU of 8zbo by Molmil
Crystal structure of the biphotochromic fluorescent protein moxSAASoti (F97M variant) in its green on-state
Descriptor: 1,2-ETHANEDIOL, F97M variant of the biphotochromic fluorescent protein moxSAASoti, NITRATE ION, ...
Authors:Boyko, K.M, Matyuta, I.O, Marynich, N.K, Minyaev, M.E, Khadiyatova, A.A, Popov, V.O, Savitsky, A.P.
Deposit date:2024-04-26
Release date:2024-06-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single-point substitution F97M leads to in cellulo crystallization of the biphotochromic protein moxSAASoti.
Biochem.Biophys.Res.Commun., 732, 2024
5E6P
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BU of 5e6p by Molmil
PlexinB2 cytoplasmic region/PDZ-RhoGEF PDZ domain complex
Descriptor: Plexin-B2, Rho guanine nucleotide exchange factor 11
Authors:Pascoe, H.G, Zhang, X.
Deposit date:2015-10-10
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.215 Å)
Cite:Secondary PDZ domain-binding site on class B plexins enhances the affinity for PDZ-RhoGEF.
Proc.Natl.Acad.Sci.USA, 112, 2015
2QQE
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BU of 2qqe by Molmil
Thymidine Kinase from Thermotoga Maritima in complex with Thymidine
Descriptor: THYMIDINE, Thymidine kinase, ZINC ION
Authors:Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S.
Deposit date:2007-07-26
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
Structure, 15, 2007
2QPO
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BU of 2qpo by Molmil
Thermotoga Maritima Thymidine Kinase in the apo form
Descriptor: SULFATE ION, Thymidine kinase, ZINC ION
Authors:Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S.
Deposit date:2007-07-24
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
Structure, 15, 2007
1SLA
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BU of 1sla by Molmil
X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES
Descriptor: BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bourne, Y, Cambillau, C.
Deposit date:1994-03-12
Release date:1995-01-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
1SLC
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BU of 1slc by Molmil
X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES
Descriptor: BOVINE GALECTIN-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bourne, Y, Cambillau, C.
Deposit date:1994-03-12
Release date:1995-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crosslinking of mammalian lectin (galectin-1) by complex biantennary saccharides.
Nat.Struct.Biol., 1, 1994
2QQ0
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BU of 2qq0 by Molmil
Thymidine Kinase from Thermotoga Maritima in complex with thymidine + AppNHp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S.
Deposit date:2007-07-25
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
Structure, 15, 2007
5C4D
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BU of 5c4d by Molmil
Crystal structure of GTB + UDP-Glc + DI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C1L
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BU of 5c1l by Molmil
Crystal structure of GTB + UDP-Gal + DI
Descriptor: GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-14
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
3LEA
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BU of 3lea by Molmil
Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor
Descriptor: 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5C3A
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BU of 5c3a by Molmil
Crystal structure of ABBA + UDP-C-Gal (short soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C38
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BU of 5c38 by Molmil
Crystal structure of AABB + UDP-C-Gal + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C3D
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BU of 5c3d by Molmil
Crystal structure of ABBB + UDP-C-Gal (short soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C4F
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BU of 5c4f by Molmil
Crystal structure of AABB + UDP-Glc + DI
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5IG3
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BU of 5ig3 by Molmil
Crystal structure of the human CaMKII-alpha hub
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha
Authors:McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
3LE9
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BU of 3le9 by Molmil
Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5D2W
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BU of 5d2w by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type
To Be Published
8FH3
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BU of 8fh3 by Molmil
Human IFT-A complex structures provide molecular insights into ciliary transport
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Tubby-related protein 3, ...
Authors:Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J.
Deposit date:2022-12-13
Release date:2023-02-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Human IFT-A complex structures provide molecular insights into ciliary transport.
Cell Res., 33, 2023
8FGW
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BU of 8fgw by Molmil
Human IFT-A complex structures provide molecular insights into ciliary transport
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ...
Authors:Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J.
Deposit date:2022-12-12
Release date:2023-02-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Human IFT-A complex structures provide molecular insights into ciliary transport.
Cell Res., 33, 2023
6QXL
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BU of 6qxl by Molmil
Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Abdelhamid, Y, Brear, P, Welch, M.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
J.Biol.Chem., 294, 2019

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数据于2025-07-23公开中

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