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5LNB
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BU of 5lnb by Molmil
Crystal structure of the de-sumoylating protease
Descriptor: ACETATE ION, Ubiquitin-like-specific protease 2
Authors:Eckhoff, J, Dohmen, J, Pichlo, C, Baumann, U.
Deposit date:2016-08-03
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the de-sumoylating protease
To Be Published
1UN9
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BU of 1un9 by Molmil
Crystal structure of the dihydroxyacetone kinase from C. freundii in complex with AMP-PNP and Mg2+
Descriptor: DIHYDROXYACETONE, DIHYDROXYACETONE KINASE, MAGNESIUM ION, ...
Authors:Siebold, C, Arnold, I, Garcia-Alles, L.F, Baumann, U, Erni, B.
Deposit date:2003-09-08
Release date:2003-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of the Citrobacter Freundii Dihydroxyacetone Kinase Reveals an Eight-Stranded Alpha-Helical Barrel ATP-Binding Domain
J.Biol.Chem., 278, 2003
1UOE
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BU of 1uoe by Molmil
Crystal structure of the dihydroxyacetone kinase from E. coli in complex with glyceraldehyde
Descriptor: DIHYDROXYACETONE KINASE, GLYCEROL, SULFATE ION
Authors:Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
Deposit date:2003-09-16
Release date:2004-09-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004
1UN8
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BU of 1un8 by Molmil
Crystal structure of the dihydroxyacetone kinase of C. freundii (native form)
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, DIHYDROXYACETONE KINASE
Authors:Siebold, C, Arnold, I, Garcia-Alles, L.F, Baumann, U, Erni, B.
Deposit date:2003-09-08
Release date:2003-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Citrobacter Freundii Dihydroxyacetone Kinase Reveals an Eight-Stranded Alpha-Helical Barrel ATP-Binding Domain
J.Biol.Chem., 278, 2003
3CT6
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BU of 3ct6 by Molmil
Crystal structure of DhaM of L. lactis
Descriptor: PTS-dependent dihydroxyacetone kinase, phosphotransferase subunit dhaM
Authors:Zurbriggen, A.
Deposit date:2008-04-11
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray Structures of the Three Lactococcus lactis Dihydroxyacetone Kinase Subunits and of a Transient Intersubunit Complex.
J.Biol.Chem., 283, 2008
3KDS
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BU of 3kds by Molmil
apo-FtsH crystal structure
Descriptor: Cell division protein FtsH, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-L-alanyl-L-alaninamide, ZINC ION
Authors:Bieniossek, C, Niederhauser, B, Baumann, U.
Deposit date:2009-10-23
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:The crystal structure of apo-FtsH reveals domain movements necessary for substrate unfolding and translocation
Proc.Natl.Acad.Sci.USA, 106, 2009
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Authors:Song, W, Jia, A, Huang, S, Chai, J.
Deposit date:2022-05-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7XJP
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BU of 7xjp by Molmil
Cryo-EM structure of EDS1 and SAG101 with ATP-APDR
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ...
Authors:Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J.
Deposit date:2022-04-18
Release date:2022-07-20
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6HWV
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BU of 6hwv by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HWT
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BU of 6hwt by Molmil
Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
3C8G
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BU of 3c8g by Molmil
Crystal structure of a possible transciptional regulator YggD from Shigella flexneri 2a str. 2457T
Descriptor: ACETATE ION, Putative transcriptional regulator
Authors:Tan, K, Borovilos, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mannitol operon repressor MtlR belongs to a new class of transcription regulators in bacteria.
J.Biol.Chem., 284, 2009
3BRJ
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BU of 3brj by Molmil
Crystal structure of mannitol operon repressor (MtlR) from Vibrio parahaemolyticus RIMD 2210633
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mannitol operon repressor
Authors:Tan, K, Zhou, M, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-12-21
Release date:2008-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The mannitol operon repressor MtlR belongs to a new class of transcription regulators in bacteria.
J.Biol.Chem., 284, 2009
6V64
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BU of 6v64 by Molmil
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Ruben, E.A, Chen, Z, Di Cera, E.
Deposit date:2019-12-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
1GO7
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BU of 1go7 by Molmil
The metzincin's methionine: PrtC M226C-E189K double mutant
Descriptor: CALCIUM ION, PHOSPHATE ION, PROTEASE C, ...
Authors:Hege, T.
Deposit date:2001-10-20
Release date:2002-10-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a Complex between Pseudomonas Aeruginosa Alkaline Protease and its Cognate Inhibitor: Inhibition by a Zinc-NH2 Coordinative Bond
J.Biol.Chem., 276, 2001
6R9Z
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BU of 6r9z by Molmil
3D NMR solution structure of ligand peptide (Ac)EVNPPVP of Pro-Pro endopeptidase-1
Descriptor: ACE-GLU-VAL-ASN-PRO-PRO-VAL-PRO-NH2
Authors:Diaz, D.
Deposit date:2019-04-04
Release date:2019-06-19
Last modified:2019-08-07
Method:SOLUTION NMR
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6Z1B
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BU of 6z1b by Molmil
Structure of K52-acetylated RutR in complex with uracil.
Descriptor: 1,2-ETHANEDIOL, HTH-type transcriptional regulator RutR, URACIL
Authors:Kremer, M, Schulze, S, Lammers, M.
Deposit date:2020-05-13
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of K52-acetylated RutR in complex with uracil.
To Be Published
5ML5
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BU of 5ml5 by Molmil
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2016-12-06
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
4HTC
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BU of 4htc by Molmil
THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Tulinsky, A, Rydel, T.J, Bode, W, Huber, R.
Deposit date:1993-06-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined structure of the hirudin-thrombin complex.
J.Mol.Biol., 221, 1991
1PPB
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BU of 1ppb by Molmil
THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Bode, W.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.
EMBO J., 8, 1989
1O6U
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BU of 1o6u by Molmil
The Crystal Structure of Human Supernatant Protein Factor
Descriptor: PALMITIC ACID, SEC14-LIKE PROTEIN 2
Authors:Stocker, A, Schulze-Briese, C, Tomizaki, T.
Deposit date:2002-10-16
Release date:2003-10-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Human Supernatant Protein Factor
Structure, 10, 2002
1PPC
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BU of 1ppc by Molmil
GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN
Authors:Bode, W, Turk, D.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.
Eur.J.Biochem., 193, 1990
1AI8
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BU of 1ai8 by Molmil
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ...
Authors:Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
Deposit date:1997-05-01
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
1BJ4
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BU of 1bj4 by Molmil
RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (HUMAN)
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, cytosolic
Authors:Renwick, S.B, Snell, K.
Deposit date:1998-07-02
Release date:1999-08-16
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The crystal structure of human cytosolic serine hydroxymethyltransferase: a target for cancer chemotherapy
Structure, 6, 1998

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