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5UE2
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BU of 5ue2 by Molmil
proMMP-7 with heparin octasaccharide bridging between domains
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ...
Authors:Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R.
Deposit date:2016-12-29
Release date:2017-07-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
2JJU
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BU of 2jju by Molmil
Structure of human signal regulatory protein (sirp) beta
Descriptor: CHLORIDE ION, SIGNAL REGULATORY PROTEIN BETA-1, SULFATE ION
Authors:Hatherley, D, Graham, S.C, Turner, J, Harlos, K, Stuart, D.I, Barclay, A.N.
Deposit date:2008-04-22
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Paired Receptor Specificity Explained by Structures of Signal Regulatory Proteins Alone and Complexed with Cd47.
Mol.Cell, 31, 2008
7XO0
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BU of 7xo0 by Molmil
Minor polymorph inalpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
6G1O
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BU of 6g1o by Molmil
Structure of Pseudomonas aeruginosa Isocitrate Lyase, ICL
Descriptor: CALCIUM ION, GLYOXYLIC ACID, Isocitrate lyase
Authors:Crousilles, A, Welch, M.
Deposit date:2018-03-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Gluconeogenic precursor availability regulates flux through the glyoxylate shunt inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
7KDR
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BU of 7kdr by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ...
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
2KYS
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BU of 2kys by Molmil
NMR Structure of the SARS Coronavirus Nonstructural Protein Nsp7 in Solution at pH 6.5
Descriptor: Non-structural protein 7
Authors:Johnson, M.A, Jaudzems, K, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-07
Release date:2010-06-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of the SARS-CoV Nonstructural Protein 7 in Solution at pH 6.5.
J.Mol.Biol., 402, 2010
2JJT
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BU of 2jjt by Molmil
Structure of human CD47 in complex with human signal regulatory protein (SIRP) alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LEUKOCYTE SURFACE ANTIGEN CD47, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1
Authors:Hatherley, D, Graham, S.C, Turner, J, Harlos, K, Stuart, D.I, Barclay, A.N.
Deposit date:2008-04-22
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Paired receptor specificity explained by structures of signal regulatory proteins alone and complexed with CD47.
Mol. Cell, 31, 2008
2JJS
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BU of 2jjs by Molmil
Structure of human CD47 in complex with human signal regulatory protein (SIRP) alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, LEUKOCYTE SURFACE ANTIGEN CD47, ...
Authors:Hatherley, D, Graham, S.C, Turner, J, Harlos, K, Stuart, D.I, Barclay, A.N.
Deposit date:2008-04-22
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Paired receptor specificity explained by structures of signal regulatory proteins alone and complexed with CD47.
Mol. Cell, 31, 2008
3MVH
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BU of 3mvh by Molmil
Crystal structure of Akt-1-inhibitor complexes
Descriptor: GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ...
Authors:Pandit, J.
Deposit date:2010-05-04
Release date:2010-06-02
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
3MV5
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BU of 3mv5 by Molmil
Crystal structure of Akt-1-inhibitor complexes
Descriptor: (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ...
Authors:Pandit, J.
Deposit date:2010-05-03
Release date:2010-06-02
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
4CRZ
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BU of 4crz by Molmil
Direct visualisation of strain-induced protein prost-translational modification
Descriptor: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
Authors:Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
Deposit date:2014-03-02
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
4CS0
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BU of 4cs0 by Molmil
Direct visualisation of strain-induced protein post-translational modification
Descriptor: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
Authors:Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
Deposit date:2014-03-02
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
Descriptor: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
Authors:Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
4DJZ
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BU of 4djz by Molmil
Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Descriptor: Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2
Authors:Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G.
Deposit date:2012-02-03
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2.
J.Biol.Chem., 287, 2012
3P49
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BU of 3p49 by Molmil
Crystal Structure of a Glycine Riboswitch from Fusobacterium nucleatum
Descriptor: GLYCINE, GLYCINE RIBOSWITCH, MAGNESIUM ION, ...
Authors:Butler, E.B, Wang, J, Xiong, Y, Strobel, S.
Deposit date:2010-10-06
Release date:2011-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of cooperative ligand binding by the glycine riboswitch.
Chem.Biol., 18, 2011
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
Descriptor: ENDOTHIAPEPSIN, H-142
Authors:Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
Authors:Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-10-14
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.125 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
8A4L
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BU of 8a4l by Molmil
Lipidic alpha-synuclein fibril - polymorph L2A
Descriptor: Alpha-synuclein
Authors:Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
Deposit date:2022-06-12
Release date:2022-08-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
4N7J
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BU of 4n7j by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
8API
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BU of 8api by Molmil
THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ...
Authors:Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
Deposit date:1988-09-08
Release date:1990-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
8ADW
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BU of 8adw by Molmil
Lipidic alpha-synuclein fibril - polymorph L1C
Descriptor: Alpha-synuclein
Authors:Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
Deposit date:2022-07-11
Release date:2022-10-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022

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