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2YIZ
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BU of 2yiz by Molmil
X-ray structure of Mycobacterium tuberculosis Dodecin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COENZYME A, ...
Authors:Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O.
Deposit date:2011-05-17
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids.
Chem.Commun.(Camb.), 47, 2011
2YJ0
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BU of 2yj0 by Molmil
X-ray structure of chemically engineered Mycobacterium tuberculosis Dodecin
Descriptor: CHLORIDE ION, COENZYME A, DODECIN, ...
Authors:Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O.
Deposit date:2011-05-17
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids.
Chem.Commun.(Camb.), 47, 2011
2MMW
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BU of 2mmw by Molmil
LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD SUBSTITUTION of GLY12-ILE13-GLY14
Descriptor: Microcin J25
Authors:Knappe, T.A, Linne, U, Xie, X, Marahiel, M.A.
Deposit date:2014-03-20
Release date:2014-05-14
Method:SOLUTION NMR
Cite:Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist.
Angew.Chem.Int.Ed.Engl., 50, 2011
5A8J
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BU of 5a8j by Molmil
Crystal structure of the ArnB paralog VWA2 from Sulfolobus acidocaldarius
Descriptor: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
Authors:Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V.
Deposit date:2015-07-16
Release date:2016-06-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
5A8I
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BU of 5a8i by Molmil
Crystal structure of the FHA domain of ArnA from Sulfolobus acidocaldarius
Descriptor: ARNA, GLYCEROL, SULFATE ION
Authors:Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V.
Deposit date:2015-07-16
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
3FYX
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BU of 3fyx by Molmil
The Structure of OmpF porin with a synthetic dibenzo-18-crown-6 as modulator
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide, Outer membrane protein F
Authors:Reitz, S, Cebi, M, Koert, U, Essen, L.O.
Deposit date:2009-01-23
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:On the function and structure of synthetically modified porins.
Angew.Chem.Int.Ed.Engl., 48, 2009
4RZ2
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BU of 4rz2 by Molmil
Crystal structure of the MinD-like ATPase FlhG
Descriptor: Site-determining protein
Authors:Schuhmacher, J.S, Bange, G.
Deposit date:2014-12-18
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RZ3
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BU of 4rz3 by Molmil
Crystal structure of the MinD-like ATPase FlhG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Site-determining protein
Authors:Schuhmacher, J.S, Bange, G.
Deposit date:2014-12-18
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
3KIG
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BU of 3kig by Molmil
Mutant carbonic anhydrase II in complex with an azide and an alkyne
Descriptor: 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G.
Deposit date:2009-11-02
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3KNE
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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ...
Authors:Schulze-Wischeler, J, Heine, A, Klebe, G.
Deposit date:2009-11-12
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
2MJD
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BU of 2mjd by Molmil
Oxidized Yeast Adrenodoxin Homolog 1
Descriptor: Adrenodoxin homolog, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
Authors:Gallo, A, Banci, L.
Deposit date:2014-01-07
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional reconstitution of mitochondrial Fe/S cluster synthesis on Isu1 reveals the involvement of ferredoxin.
Nat Commun, 5, 2014
2MJE
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BU of 2mje by Molmil
Reduced Yeast Adrenodoxin Homolog 1
Descriptor: Adrenodoxin homolog, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
Authors:Gallo, A, Banci, L.
Deposit date:2014-01-07
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional reconstitution of mitochondrial Fe/S cluster synthesis on Isu1 reveals the involvement of ferredoxin.
Nat Commun, 5, 2014
2NAR
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BU of 2nar by Molmil
Solution structure of AVR3a_60-147 from Phytophthora infestans
Descriptor: Effector protein Avr3a
Authors:Matena, A, Bayer, P, Zhukov, I, Stanek, J, Kozminski, W, van West, P, Wawra, S.
Deposit date:2016-01-08
Release date:2017-01-11
Last modified:2018-06-06
Method:SOLUTION NMR
Cite:The RxLR Motif of the Host Targeting Effector AVR3a ofPhytophthora infestansIs Cleaved before Secretion.
Plant Cell, 29, 2017
6GOW
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BU of 6gow by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis crystallized in spacegroup P22121
Descriptor: Flagellar secretion chaperone FliS, Flagellin
Authors:Altegoer, F, Bange, G.
Deposit date:2018-06-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
3M2Z
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BU of 3m2z by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
Descriptor: CARBONATE ION, Carbonic anhydrase 2, N-(2-sulfanylethyl)benzamide, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-08
Release date:2011-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening on Carbonic Anydrase II via Tethering approach
To be Published
5DED
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BU of 5ded by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to its product pppGpp
Descriptor: GTP pyrophosphokinase YjbM, MAGNESIUM ION, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-08-25
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
5F2V
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BU of 5f2v by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase YjbM, MAGNESIUM ION
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-12-02
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
Descriptor: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-13
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
5J8Q
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BU of 5j8q by Molmil
Crystal Structure of the Cysteine Desulfurase SufS of Bacillus subtilis
Descriptor: ALANINE, Cysteine desulfurase SufS, PYRIDOXAL-5'-PHOSPHATE
Authors:Altegoer, F, Bange, G.
Deposit date:2016-04-08
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Crystal Structure of Bacillus subtilis Cysteine Desulfurase SufS and Its Dynamic Interaction with Frataxin and Scaffold Protein SufU.
Plos One, 11, 2016
5JRK
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BU of 5jrk by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (SeMet-derived)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein, beta-D-glucopyranose
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JRL
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BU of 5jrl by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (Native)
Descriptor: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
Authors:Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JQF
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BU of 5jqf by Molmil
Crystal structure of the lasso peptide Sphingopyxin I (SpI)
Descriptor: Sphingopyxin I
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
5DEC
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BU of 5dec by Molmil
Crystal structure of the small alarmone synthetase 1 from Bacillus subtilis
Descriptor: GTP pyrophosphokinase YjbM
Authors:Steinchen, W, Altegoer, A, Schuhmacher, J.S, Bange, G.
Deposit date:2015-08-25
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
5LWR
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BU of 5lwr by Molmil
Endothiapepsin in complex with a derivative of fragment 177
Descriptor: 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ...
Authors:Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LWS
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BU of 5lws by Molmil
Endothiapepsin in complex with fragment 177 and a derivative thereof
Descriptor: 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017

 

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