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4NP9
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BU of 4np9 by Molmil
Structure of Rabphilin C2A domain bound to IP3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION
Authors:Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S.
Deposit date:2013-11-21
Release date:2013-12-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NS0
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BU of 4ns0 by Molmil
The C2A domain of Rabphilin 3A in complex with PI(4,5)P2
Descriptor: Rabphilin-3A, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S.
Deposit date:2013-11-27
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LT7
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BU of 4lt7 by Molmil
Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium
Descriptor: CALCIUM ION, Rabphilin-3A
Authors:Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J.
Deposit date:2013-07-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
2AXE
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BU of 2axe by Molmil
IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS
Descriptor: ACETYL XYLAN ESTERASE, SULFATE ION
Authors:Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J.
Deposit date:1998-09-01
Release date:1999-05-18
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
2LK9
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BU of 2lk9 by Molmil
Structure of BST-2/Tetherin Transmembrane Domain
Descriptor: Bone marrow stromal antigen 2
Authors:Skasko, M, Wang, Y, Tian, Y, Tokarev, A, Munguia, J, Ruiz, A, Stephens, E, Opella, S, Guatelli, J.
Deposit date:2011-10-07
Release date:2011-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:HIV-1 Vpu Protein Antagonizes Innate Restriction Factor BST-2 via Lipid-embedded Helix-Helix Interactions.
J.Biol.Chem., 287, 2012
2BE2
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BU of 2be2 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239
Descriptor: 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E.
Deposit date:2005-10-21
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
2YKM
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BU of 2ykm by Molmil
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
Descriptor: 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D.
Deposit date:2011-05-28
Release date:2011-08-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.
J.Med.Chem., 54, 2011
2YKN
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BU of 2ykn by Molmil
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
Descriptor: 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D.
Deposit date:2011-05-28
Release date:2011-08-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.
J.Med.Chem., 54, 2011
4AK8
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BU of 4ak8 by Molmil
Structure of F241L mutant of langerin carbohydrate recognition domain.
Descriptor: C-TYPE LECTIN DOMAIN FAMILY 4 MEMBER K, CALCIUM ION, CHLORIDE ION, ...
Authors:Chabrol, E, Thepaut, M, Dezutter-Dambuyant, C, Vives, C, Marcoux, J, Kahn, R, Valadeau-Guilemond, J, Vachette, P, Durand, D, Fieschi, F.
Deposit date:2012-02-22
Release date:2013-04-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Alteration of the Langerin Oligomerization State Affects Birbeck Granule Formation.
Biophys.J., 108, 2015
2B5J
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BU of 2b5j by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481
Descriptor: (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ...
Authors:Himmel, D.H, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Mguyen, C.H, Grierson, D.S, Arnold, E.
Deposit date:2005-09-28
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
6YQ4
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BU of 6yq4 by Molmil
Crystal structure of Fusobacterium nucleatum tannase
Descriptor: GLYCEROL, MAGNESIUM ION, SPERMIDINE, ...
Authors:Mancheno, J.M, Anguita, J, Rodriguez, H.
Deposit date:2020-04-16
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
2WYL
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BU of 2wyl by Molmil
Apo structure of a metallo-b-lactamase
Descriptor: FORMYL GROUP, GLYCEROL, L-ASCORBATE-6-PHOSPHATE LACTONASE ULAG
Authors:Garces, F, Fernandez, F.J, Penya-Soler, E, Aguilar, J, Baldoma, L, Coll, M, Badia, J, Vega, M.C.
Deposit date:2009-11-16
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Molecular Architecture of the Mn(2+)Dependent Lactonase Ulag Reveals an Rnase-Like Metallo-Beta-Lactamase Fold and a Novel Quaternary Structure.
J.Mol.Biol., 398, 2010
2WYM
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BU of 2wym by Molmil
Structure of a metallo-b-lactamase
Descriptor: CITRATE ANION, GLYCEROL, L-ASCORBATE-6-PHOSPHATE LACTONASE ULAG, ...
Authors:Garces, F, Fernandez, F.J, Penya-Soler, E, Aguilar, J, Baldoma, L, Coll, M, Badia, J, Vega, M.C.
Deposit date:2009-11-16
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Architecture of the Mn(2+)Dependent Lactonase Ulag Reveals an Rnase-Like Metallo-Beta-Lactamase Fold and a Novel Quaternary Structure.
J.Mol.Biol., 398, 2010
2BI4
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BU of 2bi4 by Molmil
Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli
Descriptor: CHLORIDE ION, FE (III) ION, LACTALDEHYDE REDUCTASE, ...
Authors:Montella, C, Bellsolell, L, Badia, J, Baldoma, L, Perez, R, Coll, M, Aguilar, J.
Deposit date:2005-01-20
Release date:2005-07-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli
J.Bacteriol., 187, 2005
2BL4
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BU of 2bl4 by Molmil
Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli
Descriptor: CHLORIDE ION, FE (II) ION, LACTALDEHYDE REDUCTASE, ...
Authors:Montella, C, Bellsolell, L, Perez-Luque, R, Badia, J, Baldoma, L, Coll, M, Aguilar, J.
Deposit date:2005-03-01
Release date:2005-07-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli.
J.Bacteriol., 187, 2005
8GH7
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BU of 8gh7 by Molmil
142D6 bound to BIR3-XIAP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BIR3 inhibitor MAA-CHG-PRO-ZHW, E3 ubiquitin-protein ligase XIAP, ...
Authors:Garza-Granados, A, McGuire, J, Baggio, C, Pellecchia, M, Pegan, S.D.
Deposit date:2023-03-09
Release date:2023-07-05
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist.
J.Med.Chem., 66, 2023
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
Descriptor: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
Authors:Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
Deposit date:2019-08-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
6NEA
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BU of 6nea by Molmil
Human Acetylcholinesterase in complex with reactivator, HLo7
Descriptor: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D.
Deposit date:2018-12-17
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.419 Å)
Cite:Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate.
Acs Med.Chem.Lett., 10, 2019
8DCY
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BU of 8dcy by Molmil
CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab
Descriptor: 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-17
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DC5
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BU of 8dc5 by Molmil
CCHFV GP38 Hoti/Kosovo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, IODIDE ION
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-15
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DDK
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BU of 8ddk by Molmil
CCHFV GP38 Hoti/Kosovo bound with CC5_17
Descriptor: Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-18
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
1DXL
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BU of 1dxl by Molmil
Dihydrolipoamide dehydrogenase of glycine decarboxylase from Pisum Sativum
Descriptor: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Faure, M, Cohen-Addad, C, Bourguignon, J, Macherel, D, Neuburger, M, Douce, R.
Deposit date:2000-01-10
Release date:2000-07-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
1BS9
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BU of 1bs9 by Molmil
ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS
Descriptor: ACETYL XYLAN ESTERASE, SULFATE ION
Authors:Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J.
Deposit date:1998-09-01
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
1G66
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BU of 1g66 by Molmil
ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION
Descriptor: ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION
Authors:Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J.
Deposit date:2000-11-03
Release date:2001-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A.
J.Biol.Chem., 276, 2001
1U9Z
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BU of 1u9z by Molmil
Crystal Structure of Phosphoribosyl Diphosphate Synthase Complexed with AMP and Ribose 5-Phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, RIBOSE-5-PHOSPHATE, Ribose-phosphate pyrophosphokinase
Authors:Kadziola, A, Johansson, E, Jepsen, C.H, McGuire, J, Larsen, S, Hove-Jensen, B.
Deposit date:2004-08-11
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel class III phosphoribosyl diphosphate synthase: structure and properties of the tetrameric, phosphate-activated, non-allosterically inhibited enzyme from Methanocaldococcus jannaschii
J.Mol.Biol., 354, 2005

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