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8CPG
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BU of 8cpg by Molmil
Structure of the AT-Hook 1 peptide from the mammalian HMGA protein in complex with DNA
Descriptor: DNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3'), High mobility group protein HMG-I/HMG-Y, MAGNESIUM ION
Authors:Boer, D.R, Campos, J.L.
Deposit date:2023-03-02
Release date:2024-09-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the HMGA AT-hook 1 domain bound to the minor groove of AT-rich DNA and inhibition by antikinetoplastid drugs.
Sci Rep, 14, 2024
1G20
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BU of 1g20 by Molmil
MGATP-BOUND AND NUCLEOTIDE-FREE STRUCTURES OF A NITROGENASE PROTEIN COMPLEX BETWEEN LEU127DEL-FE PROTEIN AND THE MOFE PROTEIN
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Chiu, H.-J, Peters, J.W, Lanzilotta, W.N, Ryle, M.J, Seefeldt, L.C, Howard, J.B, Rees, D.C.
Deposit date:2000-10-16
Release date:2001-01-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:MgATP-Bound and nucleotide-free structures of a nitrogenase protein complex between the Leu 127 Delta-Fe-protein and the MoFe-protein.
Biochemistry, 40, 2001
1G21
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BU of 1g21 by Molmil
MGATP-BOUND AND NUCLEOTIDE-FREE STRUCTURES OF A NITROGENASE PROTEIN COMPLEX BETWEEN LEU127DEL-FE PROTEIN AND THE MOFE PROTEIN
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Chiu, H.-J, Peters, J.W, Lanzilotta, W.N, Ryle, M.J, Seefeldt, L.C, Howard, J.B, Rees, D.C.
Deposit date:2000-10-16
Release date:2001-01-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:MgATP-Bound and nucleotide-free structures of a nitrogenase protein complex between the Leu 127 Delta-Fe-protein and the MoFe-protein.
Biochemistry, 40, 2001
5WAY
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BU of 5way by Molmil
MgaSpn protein, Mga regulator from Streptococcus pneumoniae
Descriptor: GLYCEROL, NICKEL (II) ION, POTASSIUM ION, ...
Authors:Osipiuk, J.
Deposit date:2017-06-27
Release date:2017-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:MgaSpn protein, Mga regulator from Streptococcus pneumoniae
To Be Published
7QQA
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BU of 7qqa by Molmil
MgADP-bound Fe protein of the iron-only nitrogenase from Azotobacter vinelandii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Trncik, C, Mueller, T, Franke, P, Einsle, O.
Deposit date:2022-01-07
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:MgADP-bound Fe protein of the iron-only nitrogenase from Azotobacter vinelandii
Journal of Inorganic Biochemistry, 227, 2022
8E2W
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BU of 8e2w by Molmil
Structure of CRISPR-Associated DinG
Descriptor: CasDinG
Authors:Domgaard, H, Jackson, R.N.
Deposit date:2022-08-16
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:CasDinG is a 5'-3' dsDNA and RNA/DNA helicase with three accessory domains essential for type IV CRISPR immunity.
Nucleic Acids Res., 51, 2023
6Z0C
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BU of 6z0c by Molmil
Structure of in silico modelled artificial Maquette-3 protein
Descriptor: Maquette-3, POTASSIUM ION
Authors:Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
Deposit date:2020-05-08
Release date:2021-03-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
6Z35
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BU of 6z35 by Molmil
De-novo Maquette 2 protein with buried ion-pair
Descriptor: Maquette 2-1ip
Authors:Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
Deposit date:2020-05-19
Release date:2021-04-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
6I9C
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BU of 6i9c by Molmil
Structure of the OTU domain of OTULIN G281R mutant
Descriptor: CHLORIDE ION, GLYCEROL, Ubiquitin thioesterase otulin
Authors:Damgaard, R.B, Elliott, P.R, Swatek, K.N, Maher, E.R, Stepensky, P, Elpeleg, O, Komander, D, Berkun, Y.
Deposit date:2018-11-22
Release date:2019-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:OTULIN deficiency in ORAS causes cell type-specific LUBAC degradation, dysregulated TNF signalling and cell death.
Embo Mol Med, 11, 2019
9F95
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BU of 9f95 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
Descriptor: 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 19, 2024
9F92
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BU of 9f92 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic acid
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-azanyl-3-nitro-benzoic acid, SULFATE ION, ...
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 19, 2024
9F93
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BU of 9f93 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(4-fluorophenyl)benzoic acid
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-azanyl-5-(4-fluorophenyl)benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 19, 2024
9F96
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BU of 9f96 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-ethoxybenzoic acid
Descriptor: 1,2-ETHANEDIOL, 2-azanyl-3-ethoxy-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 19, 2024
9F94
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BU of 9f94 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(3-hydroxyphenyl)benzoic acid
Descriptor: 2-azanyl-5-(3-hydroxyphenyl)benzoic acid, ACETATE ION, FORMIC ACID, ...
Authors:Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
Deposit date:2024-05-07
Release date:2024-10-09
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 19, 2024
1TLE
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BU of 1tle by Molmil
LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES
Descriptor: LAMININ
Authors:Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A.
Deposit date:1996-01-26
Release date:1997-02-12
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure of the nidogen binding LE module of the laminin gamma1 chain in solution.
J.Mol.Biol., 257, 1996
4BN9
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BU of 4bn9 by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with nicotinic acid
Descriptor: COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID
Authors:Baumgartner, R, Waltersperger, S, Oberholzer, A.E.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Nitroreductase Cind from Lactococcus Lactis
To be Published
1BD8
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BU of 1bd8 by Molmil
STRUCTURE OF CDK INHIBITOR P19INK4D
Descriptor: P19INK4D CDK4/6 INHIBITOR
Authors:Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A.
Deposit date:1998-05-12
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
2FPV
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BU of 2fpv by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
2FPT
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BU of 2fpt by Molmil
Dual Binding Mode of a Novel Series of DHODH inhibitors
Descriptor: 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Walloschek, M, Kralik, M, Gotschlich, A, Tasler, S, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
2FPY
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BU of 2fpy by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-17
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
2FQI
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BU of 2fqi by Molmil
dual binding modes of a novel series of DHODH inhibitors
Descriptor: 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-18
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
2BXV
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BU of 2bxv by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
Authors:Baumgartner, R, Walloschek, M, Karlik, M, Gotschlich, A, Tasler, S, Mies, J, Leban, J.
Deposit date:2005-07-27
Release date:2006-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J. Med. Chem., 49, 2006
2WDP
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BU of 2wdp by Molmil
Crystal Structure of Ligand Free Human Caspase-6
Descriptor: CASPASE-6, PHOSPHATE ION
Authors:Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M.
Deposit date:2009-03-25
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
3FWY
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BU of 3fwy by Molmil
Crystal structure of the L protein of Rhodobacter sphaeroides light-independent protochlorophyllide reductase (BchL) with MgADP bound: a homologue of the nitrogenase Fe protein
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein, ...
Authors:Sarma, R, Barney, B.M, Hamilton, T.L, Jones, A, Seefeldt, L.C, Peters, J.W.
Deposit date:2009-01-19
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of the L Protein of Rhodobacter sphaeroides Light-Independent Protochlorophyllide Reductase with MgADP Bound: A Homologue of the Nitrogenase Fe Protein.
Biochemistry, 47, 2008
1VJC
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BU of 1vjc by Molmil
Structure of pig muscle PGK complexed with MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, phosphoglycerate kinase
Authors:Flachner, B, Kovari, Z, Varga, A, Gugolya, Z, Vonderviszt, F, Naray-Szabo, G, Vas, M.
Deposit date:2004-02-03
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of phosphate chain mobility of MgATP in completing the 3-phosphoglycerate kinase catalytic site: binding, kinetic, and crystallographic studies with ATP and MgATP.
Biochemistry, 43, 2004

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