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7ZBR
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BU of 7zbr by Molmil
Crystal Structure of full-length Bartonella Effector protein 1
Descriptor: Bartonella effector protein (Bep) substrate of VirB T4SS
Authors:Huber, M.
Deposit date:2022-03-24
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Full-length structure of a FIC effector protein from Bartonella reveals a novel structural domain
To be published
2L3Z
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BU of 2l3z by Molmil
Proton-Detected 4D DREAM Solid-State NMR Structure of Ubiquitin
Descriptor: Ubiquitin
Authors:Huber, M, Hiller, S, Schanda, P, Ernst, M, Bockmann, A, Verel, R, Meier, B.H.
Deposit date:2010-09-27
Release date:2011-02-16
Last modified:2011-07-13
Method:SOLID-STATE NMR
Cite:A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination.
Chemphyschem, 12, 2011
3OAU
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BU of 3oau by Molmil
Antibody 2G12 Recognizes Di-Mannose Equivalently in Domain- and Non-Domain-Exchanged Forms, but only binds the HIV-1 Glycan Shield if Domain-Exchanged
Descriptor: Fab 2G12, heavy chain, light chain, ...
Authors:Doores, K.J, Fulton, Z, Huber, M, Wilson, I.A, Burton, D.R.
Deposit date:2010-08-05
Release date:2011-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibody 2G12 recognizes di-mannose equivalently in domain- and nondomain-exchanged forms but only binds the HIV-1 glycan shield if domain exchanged.
J.Virol., 84, 2010
2JBO
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BU of 2jbo by Molmil
Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking)
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION
Authors:Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
2JBP
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BU of 2jbp by Molmil
Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization)
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2
Authors:Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
1NPJ
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BU of 1npj by Molmil
Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W.
Deposit date:2003-01-18
Release date:2003-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reconstitution of the type-1 active site of the H145G/A variants of nitrite reductase by ligand insertion
Biochemistry, 42, 2003
1NPN
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BU of 1npn by Molmil
Crystal structure of a copper reconstituted H145A mutant of nitrite reductase from Alcaligenes faecalis
Descriptor: CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W.
Deposit date:2003-01-18
Release date:2003-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reconstitution of the type-1 active site of the 145G/A variants of Nitrite Reductase by ligand insertion
Biochemistry, 42, 2003
2MVX
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BU of 2mvx by Molmil
Atomic-resolution 3D structure of amyloid-beta fibrils: the Osaka mutation
Descriptor: Amyloid beta A4 protein
Authors:Schuetz, A.K, Vagt, T, Huber, M, Ovchinnikova, O.Y, Cadalbert, R, Wall, J, Guentert, P, Bockmann, A, Glockshuber, R, Meier, B.H.
Deposit date:2014-10-17
Release date:2014-11-26
Last modified:2015-01-21
Method:SOLID-STATE NMR
Cite:Atomic-Resolution Three-Dimensional Structure of Amyloid beta Fibrils Bearing the Osaka Mutation.
Angew.Chem.Int.Ed.Engl., 54, 2015
8E2M
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BU of 8e2m by Molmil
Bruton's tyrosine kinase (BTK) with compound 13
Descriptor: (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK
Authors:Alexander, R, Milligan, C.M.
Deposit date:2022-08-15
Release date:2022-11-16
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
8QA5
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BU of 8qa5 by Molmil
MTHFR + SAH asymmetric dis-inhibited state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J.
Deposit date:2023-08-22
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase
To Be Published
8QA6
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BU of 8qa6 by Molmil
MTHFR + SAM inhibited state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYLMETHIONINE
Authors:Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J.
Deposit date:2023-08-22
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase
To Be Published
8QA4
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BU of 8qa4 by Molmil
MTHFR + SAH symmetric dis-inhibited state
Descriptor: Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J.
Deposit date:2023-08-22
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase
To Be Published
6Y15
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BU of 6y15 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E_Q126K
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6Y1B
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BU of 6y1b by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant K32A_Q126K
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6Y0S
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BU of 6y0s by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
2N1F
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BU of 2n1f by Molmil
Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy
Descriptor: Apoptosis-associated speck-like protein
Authors:Sborgi, L, Ravotti, F, Dandey, V, Dick, M, Mazur, A, Reckel, S, Chami, M, Scherer, S, Bockmann, A, Egelman, E, Stahlberg, H, Broz, P, Meier, B, Hiller, S.
Deposit date:2015-04-01
Release date:2015-10-14
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR
Cite:Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 112, 2015
2JB6
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BU of 2jb6 by Molmil
Fab fragment in complex with small molecule hapten, crystal form-2
Descriptor: 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN
Authors:Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K.
Deposit date:2006-12-03
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
2JB5
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BU of 2jb5 by Molmil
Fab fragment in complex with small molecule hapten, crystal form-1
Descriptor: 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN
Authors:Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K.
Deposit date:2006-12-03
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
1PSS
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BU of 1pss by Molmil
CRYSTALLOGRAPHIC ANALYSES OF SITE-DIRECTED MUTANTS OF THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Chirino, A.J, Feher, G, Rees, D.C.
Deposit date:1993-12-13
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analyses of site-directed mutants of the photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 33, 1994
1PST
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BU of 1pst by Molmil
CRYSTALLOGRAPHIC ANALYSES OF SITE-DIRECTED MUTANTS OF THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Chirino, A.J, Feher, G, Rees, D.C.
Deposit date:1993-12-13
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analyses of site-directed mutants of the photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 33, 1994
2C9O
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BU of 2c9o by Molmil
3D Structure of the human RuvB-like helicase RuvBL1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RUVB-LIKE 1
Authors:Matias, P.M, Gorynia, S, Donner, P, Carrondo, M.A.
Deposit date:2005-12-14
Release date:2006-10-23
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human AAA+ protein RuvBL1.
J. Biol. Chem., 281, 2006

217705

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