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6JGO
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BU of 6jgo by Molmil
Crystal structure of barley exohydrolaseI W434H mutant in complex with 4I,4III,4V-S-trithiocellohexaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
7NZO
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BU of 7nzo by Molmil
D-lyxose isomerasefrom the hyperthermophilic archaeon Thermofilum sp
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, MANGANESE (II) ION
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
8TYI
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BU of 8tyi by Molmil
NMR structure of L5pG ([p23W, G24W]kalata B1)
Descriptor: Kalata-B1
Authors:Tian, S, Craik, D.J, Conan, K.W.
Deposit date:2023-08-25
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nucleation of a key beta-turn promotes cyclotide oxidative folding.
J.Biol.Chem., 300, 2024
6O93
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BU of 6o93 by Molmil
D-alanyl transferase DltD from Enterococcus faecalis
Descriptor: CHLORIDE ION, D-alanyl transferase DltD, GLYCEROL, ...
Authors:Shakhashiro, M, Korotkov, K.V.
Deposit date:2019-03-12
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.178 Å)
Cite:D-alanyl transferase DltD from Enterococcus faecalis
To Be Published
6YLD
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BU of 6yld by Molmil
Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ...
Authors:D Sa, J, Banjara, S, Kvansakul, M.
Deposit date:2020-04-07
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
1DSS
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BU of 1dss by Molmil
STRUCTURE OF ACTIVE-SITE CARBOXYMETHYLATED D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM PALINURUS VERSICOLOR
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Song, S, Lin, Z.
Deposit date:1997-06-04
Release date:1998-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure of active site carboxymethylated D-glyceraldehyde-3-phosphate dehydrogenase from Palinurus versicolor.
J.Mol.Biol., 287, 1999
7AGO
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BU of 7ago by Molmil
crystal structure of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium abscessus bound to L-Alanine-D-isoglutamine
Descriptor: ALANINE, D-alpha-glutamine, N-acetylmuramoyl-L-alanine amidase, ...
Authors:Blaise, M.
Deposit date:2020-09-23
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Cells, 9, 2020
1CWH
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BU of 1cwh by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
Deposit date:1998-05-07
Release date:1998-07-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CYN
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BU of 1cyn by Molmil
CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-05-22
Release date:1996-01-29
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-Ray Structure of a Cyclophilin B/Cyclosporin Complex: Comparison with Cyclophilin a and Delineation of its Calcineurin-Binding Domain.
Proc.Natl.Acad.Sci.USA, 91, 1994
1CWB
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BU of 1cwb by Molmil
THE X-RAY STRUCTURE OF (MEBM2T)1-CYCLOSPORIN COMPLEXED WITH CYCLOPHILIN A PROVIDES AN EXPLANATION FOR ITS ANOMALOUSLY HIGH IMMUNOSUPPRESSIVE ACTIVITY
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The X-Ray Structure of (Mebm2T)1-Cyclosporin Complexed with Cyclophilin a Provides an Explanation for its Anomalously High Immunosuppressive Activity.
Protein Eng., 7, 1994
1CWJ
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BU of 1cwj by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN
Descriptor: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
Deposit date:1998-05-25
Release date:1998-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWF
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BU of 1cwf by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN
Descriptor: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
Deposit date:1998-04-30
Release date:1998-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWA
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BU of 1cwa by Molmil
X-RAY STRUCTURE OF A MONOMERIC CYCLOPHILIN A-CYCLOSPORIN A CRYSTAL COMPLEX AT 2.1 ANGSTROMS RESOLUTION
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Structure of a Monomeric Cyclophilin A-Cyclosporin a Crystal Complex at 2.1 A Resolution.
J.Mol.Biol., 234, 1993
5MM6
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BU of 5mm6 by Molmil
Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
Descriptor: D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Marca, A, Sandner, A, Heine, A, Klebe, G.
Deposit date:2016-12-08
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
to be published
8IVP
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BU of 8ivp by Molmil
Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
Descriptor: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase, D-fructose
Authors:Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
Deposit date:2023-03-28
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
To Be Published
6H9U
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BU of 6h9u by Molmil
Crystal structure of the BiP NBD and MANF SAP complex
Descriptor: D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ...
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-06
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
7S1M
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BU of 7s1m by Molmil
Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 1)
Descriptor: Ex4-D-Ala, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cary, B.P, Gellman, S.H.
Deposit date:2021-09-02
Release date:2022-01-05
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural and functional diversity among agonist-bound states of the GLP-1 receptor.
Nat.Chem.Biol., 18, 2022
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
Descriptor: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Talibov, V.O, Dobritzsch, D.
Deposit date:2019-06-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
6VC1
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BU of 6vc1 by Molmil
Octreotide oxalate
Descriptor: OXALATE ION, Octreotide
Authors:Spiliopoulou, M, Karavassili, F, Triandafillidis, D, Valmas, A, Kosinas, C, Fili, S, Barlos, K, Barlos, K.K, Morin, M, Reinle-Schmitt, M, Gozzo, F, Margiolaki, I.
Deposit date:2019-12-20
Release date:2020-12-23
Last modified:2021-05-19
Method:POWDER DIFFRACTION
Cite:New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide.
Acta Crystallogr.,Sect.A, 77, 2021
7RC6
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BU of 7rc6 by Molmil
Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34
Descriptor: Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
5NH6
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BU of 5nh6 by Molmil
Crystal structure of xylose isomerase from Piromyces E2 Complexed with one Mg2+ ion and xylitol
Descriptor: MAGNESIUM ION, SULFATE ION, Xylitol, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2017-03-21
Release date:2017-11-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Metal Dependence of the Xylose Isomerase from Piromyces sp. E2 Explored by Activity Profiling and Protein Crystallography.
Biochemistry, 56, 2017
8DEJ
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BU of 8dej by Molmil
D. vulgaris type I-C Cascade bound to dsDNA target
Descriptor: CRISPR-associated protein, CT1133 family, TM1801 family, ...
Authors:O'Brien, R.E, Bravo, J.P.K, Ramos, D, Hibshman, G.N, Wright, J.T, Taylor, D.W.
Deposit date:2022-06-20
Release date:2023-02-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural snapshots of R-loop formation by a type I-C CRISPR Cascade.
Mol.Cell, 83, 2023
5NHA
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BU of 5nha by Molmil
Crystal structure of xylose isomerase from Piromyces sp. E2 in complex with two Mn2+ ions and sorbitol
Descriptor: MANGANESE (II) ION, SULFATE ION, Xylose isomerase, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2017-03-21
Release date:2017-11-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal Dependence of the Xylose Isomerase from Piromyces sp. E2 Explored by Activity Profiling and Protein Crystallography.
Biochemistry, 56, 2017
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Descriptor: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
Authors:Cardoso, I.A, Nonato, M.C.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
1U29
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BU of 1u29 by Molmil
Triglycine variant of the ARNO Pleckstrin Homology Domain in complex with Ins(1,4,5)P3
Descriptor: Cytohesin 2, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
Authors:Cronin, T.C, DiNitto, J.P, Czech, M.P, Lambright, D.G.
Deposit date:2004-07-16
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural determinants of phosphoinositide selectivity in splice variants of Grp1 family PH domains
Embo J., 23, 2004

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