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1G7Z
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BU of 1g7z by Molmil
NMR SOLUTION STRUCTURE OF D(CGCTAGCG)2
Descriptor: 5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3'
Authors:Isaacs, R.J, Spielmann, H.P.
Deposit date:2000-11-15
Release date:2001-03-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Relationship of DNA structure to internal dynamics: correlation of helical parameters from NOE-based NMR solution structures of d(GCGTACGC)(2) and d(CGCTAGCG)(2) with (13)C order parameters implies conformational coupling in dinucleotide units.
J.Mol.Biol., 307, 2001
2BGL
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BU of 2bgl by Molmil
X-Ray structure of binary-Secoisolariciresinol Dehydrogenase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE
Authors:Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C.
Deposit date:2004-12-23
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans
J.Biol.Chem., 280, 2005
5NB6
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BU of 5nb6 by Molmil
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Descriptor: (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
6FJE
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BU of 6fje by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and glucose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2018-01-22
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
5NAT
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BU of 5nat by Molmil
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Descriptor: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, GLYCEROL
Authors:Mac Sweeney, A, Ostermann, N.
Deposit date:2017-02-28
Release date:2018-03-21
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J.Med.Chem., 60, 2017
6S2H
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BU of 6s2h by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Catechol
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-06-20
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
6S82
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BU of 6s82 by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Tris-buffer molecule And hydroquinone
Descriptor: 1,2-ETHANEDIOL, 1,4-benzoquinone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-07-08
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
7ROX
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BU of 7rox by Molmil
BthTX-I complexed with inhibitor MMV
Descriptor: 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I
Authors:Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M.
Deposit date:2021-08-02
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis.
Biochimie, 206, 2023
2WXB
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BU of 2wxb by Molmil
Acetylglutamate kinase from Escherichia coli free of substrates
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Ramon-Maiques, S, Gil-Ortiz, F, Rubio, V.
Deposit date:2009-11-06
Release date:2010-05-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Crystal Structures of Escherichia Coli N-Acetyl-L-Glutamate Kinase Demonstrate the Cycling between Open and Closed Conformations.
J.Mol.Biol., 399, 2010
7MSV
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BU of 7msv by Molmil
Solution Structure of Berberine Bound to a dGMP Fill-in G-Quadruplex in the PDGFR-b Promoter
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, BERBERINE, DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
Authors:Wang, K.B, Dickerhoff, J, Yang, D.
Deposit date:2021-05-12
Release date:2021-10-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of Ternary Complex of Berberine Bound to a dGMP-Fill-In Vacancy G-Quadruplex Formed in the PDGFR-beta Promoter.
J.Am.Chem.Soc., 143, 2021
5E6W
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BU of 5e6w by Molmil
Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Springer, T.A, Sen, M.
Deposit date:2015-10-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
5E6X
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BU of 5e6x by Molmil
Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Springer, T.A, Sen, M.
Deposit date:2015-10-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
5E6V
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BU of 5e6v by Molmil
Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Sen, M, Springer, T.A.
Deposit date:2015-10-10
Release date:2016-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
5OWP
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BU of 5owp by Molmil
Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, ...
Authors:Bermejo, I.A, Albuquerque, I.S, Somovilla, V.J, Martinez-Saez, N, Castro-Lopez, J, Garcia-Martin, F, Hinou, H, Nishimura, S, Jimenez-Barbero, J, Asensio, J.L, Avenoza, A, Busto, J.H, Hurtado-Guerrero, R, Peregrina, J.M, Bernardes, G.J, Corzana, F.
Deposit date:2017-09-02
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.
J. Am. Chem. Soc., 139, 2017
6O4M
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BU of 6o4m by Molmil
Racemic melittin
Descriptor: D-Melittin, Melittin, SULFATE ION
Authors:Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T.
Deposit date:2019-02-28
Release date:2019-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
1EUI
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BU of 1eui by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN
Authors:Ravishankar, R, Sagar, M.B, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M.
Deposit date:1998-06-18
Release date:1999-06-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray analysis of a complex of Escherichia coli uracil DNA glycosylase (EcUDG) with a proteinaceous inhibitor. The structure elucidation of a prokaryotic UDG.
Nucleic Acids Res., 26, 1998
6OMG
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BU of 6omg by Molmil
Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
Descriptor: (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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:Dirk, M.Z, Bitra, A, Wang, J.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
To Be Published
6EHG
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BU of 6ehg by Molmil
complement component C3b in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jensen, R.K, Andersen, K.R, Gadeberg, T.A.F, Laursen, N.S, Andersen, G.R.
Deposit date:2017-09-13
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A potent complement factor C3-specific nanobody inhibiting multiple functions in the alternative pathway of human and murine complement.
J. Biol. Chem., 293, 2018
6J9C
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BU of 6j9c by Molmil
Crystal structure of Arabidopsis thaliana transcription factor LEC2-DNA complex
Descriptor: B3 domain-containing transcription factor LEC2, DNA (5'-D(*CP*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*T)-3')
Authors:Hu, H, Du, J.
Deposit date:2019-01-22
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
7NA5
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BU of 7na5 by Molmil
Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen
Descriptor: 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ...
Authors:Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M.
Deposit date:2021-06-19
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
3O3T
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BU of 3o3t by Molmil
Crystal Structure Analysis of M32A mutant of human CLIC1
Descriptor: Chloride intracellular channel protein 1
Authors:Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Stoychev, S, Dirr, H.W.
Deposit date:2010-07-26
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure Analysis of M32A mutant of human CLIC1
To be Published
6J9B
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BU of 6j9b by Molmil
Arabidopsis FUS3-DNA complex
Descriptor: B3 domain-containing transcription factor FUS3, DNA (5'-D(*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*TP*C)-3'), DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*TP*G)-3')
Authors:Hu, H, Du, J.
Deposit date:2019-01-22
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
5C10
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BU of 5c10 by Molmil
Nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6
Descriptor: Gene 2 protein
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-12
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
7O62
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BU of 7o62 by Molmil
Crystal structure of a 2`-deoxyribosyltransferase from the psychrophilic bacterium Desulfotalea psychrophila.
Descriptor: Chains: A,B,C,D, GLYCEROL
Authors:Mancheno, J.M.
Deposit date:2021-04-09
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical and structural studies of two tetrameric nucleoside 2'-deoxyribosyltransferases from psychrophilic and mesophilic bacteria: Insights into cold-adaptation.
Int.J.Biol.Macromol., 192, 2021
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
Descriptor: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
Authors:Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
Deposit date:2000-08-24
Release date:2000-10-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000

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