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7QUH
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BU of 7quh by Molmil
Siglec-8 in complex with therapeutic Fab AK002.
Descriptor: Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin
Authors:Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J.
Deposit date:2022-01-18
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.867 Å)
Cite:Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
6Z48
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BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
Descriptor: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
Deposit date:2020-05-23
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
7R4S
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BU of 7r4s by Molmil
Crystal structure of PpSB1-LOV-I48T mutant (dark state)
Descriptor: FLAVIN MONONUCLEOTIDE, Sensory box protein
Authors:Granzin, J, Batra-Safferling, R.
Deposit date:2022-02-09
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Residue alterations within a conserved hydrophobic pocket influence light, oxygen, voltage photoreceptor dark recovery.
Photochem Photobiol Sci, 22, 2023
7R56
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BU of 7r56 by Molmil
Crystal structure of PpSB1-LOV-I48T mutant (light state)
Descriptor: FLAVIN MONONUCLEOTIDE, Sensory box protein
Authors:Granzin, J, Batra-Safferling, R.
Deposit date:2022-02-10
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Residue alterations within a conserved hydrophobic pocket influence light, oxygen, voltage photoreceptor dark recovery.
Photochem Photobiol Sci, 22, 2023
6QKL
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BU of 6qkl by Molmil
Mechanism of eIF6 release from the nascent 60S ribosomal subunit
Descriptor: 26S RIBOSOMAL RNA, 60S acidic ribosomal protein P0, 60S ribosomal protein L10, ...
Authors:Kargas, V, Warren, A.J.
Deposit date:2019-01-29
Release date:2019-03-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of eIF6 release from the nascent 60S ribosomal subunit.
Nat.Struct.Mol.Biol., 22, 2015
6Z72
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BU of 6z72 by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPM
Descriptor: 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ...
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
4E4E
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BU of 4e4e by Molmil
Crystal Structure of the Y34F mutant of Saccharomyces cerevisiae Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Sheng, Y, Cascio, D, Valentine, J.S.
Deposit date:2012-03-12
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Six-coordinate manganese(3+) in catalysis by yeast manganese superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7ZKR
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BU of 7zkr by Molmil
Human GABARAP in complex with stapled peptide Pen3-ortho
Descriptor: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
Authors:Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
Deposit date:2022-04-13
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
7ZL7
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BU of 7zl7 by Molmil
Human GABARAP in complex with stapled peptide Pen8-ortho
Descriptor: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
Authors:Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
Deposit date:2022-04-14
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6HTE
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BU of 6hte by Molmil
Sulfolobus solfataricus Tryptophan Synthase B2a
Descriptor: DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE, Tryptophan synthase beta chain 2
Authors:Fleming, J, Mayans, O, Bucher, R.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
6HUL
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BU of 6hul by Molmil
Sulfolobus solfataricus Tryptophan Synthase AB Complex
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Fleming, J.R, Mayans, O.
Deposit date:2018-10-08
Release date:2018-11-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
3R8R
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BU of 3r8r by Molmil
Transaldolase from Bacillus subtilis
Descriptor: GLYCEROL, SULFATE ION, Transaldolase
Authors:Schneider, G, Sandalova, T, Samland, A.
Deposit date:2011-03-24
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conservation of structure and mechanism within the transaldolase enzyme family.
Febs J., 279, 2012
5A4R
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BU of 5a4r by Molmil
Crystal structure of a vitamin B12 trafficking protein
Descriptor: METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE D HOMOLOG, MITOCHONDRIAL
Authors:Kopec, J, Fitzpatrick, F, Froese, D.S, Velupillai, S, Nowak, R, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Fowler, B, Baumgartner, M.R, Yue, W.W.
Deposit date:2015-06-11
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights Into the Mmachc-Mmadhc Protein Complex Involved in Vitamin B12 Trafficking.
J.Biol.Chem., 290, 2015
3R5E
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BU of 3r5e by Molmil
TRANSALDOLASE from Corynebacterium glutamicum
Descriptor: SULFATE ION, Transaldolase
Authors:Sandalova, T, Samland, A.K, Schneider, G.
Deposit date:2011-03-18
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conservation of structure and mechanism within the transaldolase enzyme family.
Febs J., 279, 2012
3ZGV
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BU of 3zgv by Molmil
Structure of human SIRT2 in complex with ADP-ribose
Descriptor: ACETATE ION, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, ...
Authors:Moniot, S, Steegborn, C.
Deposit date:2012-12-19
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structure Analysis of Human Sirt2 and its Adp-Ribose Complex
J.Struct.Biol., 182, 2013
1BZS
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BU of 1bzs by Molmil
CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909
Descriptor: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Schreuder, H, Brachvogel, V, Loenze, P.
Deposit date:1998-11-04
Release date:2000-05-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis.
J.Med.Chem., 42, 1999
5NZC
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BU of 5nzc by Molmil
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Descriptor: Profilin-2
Authors:Soh, W.T, Brandstetter, H.
Deposit date:2017-05-12
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S.
Int J Mol Sci, 18, 2017
5NZB
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BU of 5nzb by Molmil
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Descriptor: Profilin-2
Authors:Soh, W.T, Brandstetter, H.
Deposit date:2017-05-12
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S.
Int J Mol Sci, 18, 2017
5N2P
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BU of 5n2p by Molmil
Sulfolobus solfataricus Tryptophan Synthase A
Descriptor: CHLORIDE ION, TETRAETHYLENE GLYCOL, Tryptophan synthase alpha chain
Authors:Fleming, J, Mayans, O.
Deposit date:2017-02-08
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
1I73
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BU of 1i73 by Molmil
COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
Descriptor: CALCIUM ION, NEUTROPHIL COLLAGENASE, THREE RESIDUE PEPTIDE INHIBITOR, ...
Authors:Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A.
Deposit date:2001-03-07
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
3UJ1
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BU of 3uj1 by Molmil
Crystal structure of the third thioredoxin domain of human ERp46
Descriptor: Thioredoxin domain-containing protein 5
Authors:Parthier, C, Funkner, A, Ferrari, D.M, Stubbs, M.T.
Deposit date:2011-11-07
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Peptide Binding by Catalytic Domains of the Protein Disulfide Isomerase-Related Protein ERp46.
J.Mol.Biol., 425, 2013
1I76
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BU of 1i76 by Molmil
COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
Descriptor: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ...
Authors:Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A.
Deposit date:2001-03-08
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
3V3C
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BU of 3v3c by Molmil
Crystal Structure of Chloroplast ATP synthase c-ring from Pisum sativum
Descriptor: ATP synthase subunit c, chloroplastic, DIGALACTOSYL DIACYL GLYCEROL (DGDG), ...
Authors:Saroussi, S, Nelson, N.
Deposit date:2011-12-13
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:Structure and flexibility of the C-ring in the electromotor of rotary F(o)F(1)-ATPase of pea chloroplasts.
Plos One, 7, 2012
1PDI
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BU of 1pdi by Molmil
Fitting of the C-terminal part of the short tail fibers into the cryo-EM reconstruction of T4 baseplate
Descriptor: Short tail fiber protein
Authors:Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2003-05-19
Release date:2003-09-09
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Three-dimensional structure of bacteriophage T4 baseplate
Nat.Struct.Biol., 10, 2003

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