3BRA
 
 | | BACE-1 complexed with compound 1 | | Descriptor: | 4-(2-aminoethyl)phenol, Beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2007-12-21 | | Release date: | 2008-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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3BUF
 | | BACE-1 complexed with compound 2 | | Descriptor: | 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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3BUG
 | | BACE-1 complexed with compound 3 | | Descriptor: | 4-(2-aminoethyl)-2-ethylphenol, BETA-SECRETASE 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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2FYO
 | | Crystal structure of rat carnitine palmitoyltransferase 2 in space group P43212 | | Descriptor: | Carnitine O-palmitoyltransferase II, mitochondrial | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2006-02-08 | | Release date: | 2007-02-08 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
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2FW3
 | | Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326 | | Descriptor: | (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2006-02-01 | | Release date: | 2007-02-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | Descriptor: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | Authors: | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
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7PQT
 | | Apo human Kv3.1 cryo-EM structure | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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7PQU
 | | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | | Descriptor: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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1CFF
 | | NMR SOLUTION STRUCTURE OF A COMPLEX OF CALMODULIN WITH A BINDING PEPTIDE OF THE CA2+-PUMP | | Descriptor: | CALCIUM ION, CALCIUM PUMP, CALMODULIN | | Authors: | Elshorst, B, Hennig, M, Foersterling, H, Diener, A, Maurer, M, Schulte, P, Schwalbe, H, Krebs, J, Schmid, H, Vorherr, T, Carafoli, E, Griesinger, C. | | Deposit date: | 1999-03-18 | | Release date: | 1999-09-24 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump.
Biochemistry, 38, 1999
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2KMJ
 | | High resolution NMR solution structure of a complex of HIV-2 TAR RNA and a synthetic tripeptide in a 1:2 stoichiometry | | Descriptor: | Pyrimidinylpeptide, RNA (28-MER) | | Authors: | Ferner, J, Suhartono, M, Breitung, S, Jonker, H.R.A, Hennig, M, Woehnert, J, Goebel, M, Schwalbe, H. | | Deposit date: | 2009-07-30 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Structures of HIV TAR RNA-ligand complexes reveal higher binding stoichiometries.
Chembiochem, 10, 2009
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7OMT
 | | Crystal structure of ProMacrobody 21 with bound maltose | | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, ProMacrobody 21, ... | | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
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7OMM
 | | Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo) | | Descriptor: | LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ... | | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
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3MNO
 | | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A | | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
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3MNP
 | | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A | | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
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3MNE
 | | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by F608S mutation at 1.96A | | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
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7AA5
 | | Human TRPV4 structure in presence of 4a-PDD | | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein | | Authors: | Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J. | | Deposit date: | 2020-09-03 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
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1NU8
 | | Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-mer peptide, Dipeptidyl peptidase IV | | Authors: | Thoma, R, Loeffler, B, Stihle, M, Huber, W, Ruf, A, Hennig, M. | | Deposit date: | 2003-01-31 | | Release date: | 2003-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
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4EPH
 | | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor | | Descriptor: | 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2012-04-17 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
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4EP9
 | | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor | | Descriptor: | 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2012-04-17 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
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1DXJ
 | | Structure of the chitinase from jack bean | | Descriptor: | CLASS II CHITINASE, SULFATE ION | | Authors: | Hahn, M, Hennig, M, Schlesier, B, Hohne, W. | | Deposit date: | 2000-01-10 | | Release date: | 2000-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Jack Bean Chitinase
Acta Crystallogr.,Sect.D, 56, 2000
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1F97
 | | SOLUBLE PART OF THE JUNCTION ADHESION MOLECULE FROM MOUSE | | Descriptor: | JUNCTION ADHESION MOLECULE, MAGNESIUM ION | | Authors: | Kostrewa, D, Brockhaus, M, D'Arcy, A, Dale, G, Bazzoni, G, Dejana, E, Winkler, F, Hennig, M. | | Deposit date: | 2000-07-07 | | Release date: | 2001-01-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structure of junctional adhesion molecule: structural basis for homophilic adhesion via a novel dimerization motif.
EMBO J., 20, 2001
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3BUH
 | | BACE-1 complexed with compound 4 | | Descriptor: | 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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2DEB
 | | Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221 | | Descriptor: | COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ... | | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | Deposit date: | 2006-02-10 | | Release date: | 2007-02-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
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2HVM
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1YG3
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