3KWF
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![BU of 3kwf by Molmil](/molmil-images/mine/3kwf) | human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | Descriptor: | (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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1A53
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![BU of 1a53 by Molmil](/molmil-images/mine/1a53) | COMPLEX OF INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS WITH INDOLE-3-GLYCEROLPHOSPHATE AT 2.0 A RESOLUTION | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE, INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE | Authors: | Hennig, M, Darimont, B, Kirschner, K, Jansonius, J.N. | Deposit date: | 1998-02-19 | Release date: | 1999-03-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The catalytic mechanism of indole-3-glycerol phosphate synthase: crystal structures of complexes of the enzyme from Sulfolobus solfataricus with substrate analogue, substrate, and product. J.Mol.Biol., 319, 2002
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1NAR
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![BU of 1nar by Molmil](/molmil-images/mine/1nar) | |
3KWJ
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![BU of 3kwj by Molmil](/molmil-images/mine/3kwj) | Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | Descriptor: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-09-15 | Last modified: | 2020-09-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3GSB
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![BU of 3gsb by Molmil](/molmil-images/mine/3gsb) | |
4GSA
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![BU of 4gsa by Molmil](/molmil-images/mine/4gsa) | |
1CBK
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![BU of 1cbk by Molmil](/molmil-images/mine/1cbk) | 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE | Descriptor: | 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION | Authors: | Hennig, M, D'Arcy, A, Dale, G, Oefner, C. | Deposit date: | 1999-02-26 | Release date: | 2000-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae. J.Mol.Biol., 287, 1999
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1RWQ
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![BU of 1rwq by Molmil](/molmil-images/mine/1rwq) | Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE, Dipeptidyl peptidase IV | Authors: | Hennig, M, Thoma, R, Stihle, M. | Deposit date: | 2003-12-17 | Release date: | 2004-12-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents Bioorg.Med.Chem.Lett., 14, 2004
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1NSJ
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![BU of 1nsj by Molmil](/molmil-images/mine/1nsj) | |
2GSA
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![BU of 2gsa by Molmil](/molmil-images/mine/2gsa) | |
1NU6
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![BU of 1nu6 by Molmil](/molmil-images/mine/1nu6) | Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, MERCURY (II) ION | Authors: | Hennig, M, Stihle, M, Thoma, R, Ruf, A. | Deposit date: | 2003-01-31 | Release date: | 2003-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV. Structure, 11, 2003
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2DHN
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![BU of 2dhn by Molmil](/molmil-images/mine/2dhn) | COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-DIHYDRONEOPTERIN ALDOLASE | Authors: | Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G. | Deposit date: | 1998-03-31 | Release date: | 1999-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus. Nat.Struct.Biol., 5, 1998
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2BIT
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![BU of 2bit by Molmil](/molmil-images/mine/2bit) | Crystal structure of human cyclophilin D at 1.7 A resolution | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Hennig, M, Thoma, R, Stihle, M, Schlatter, D. | Deposit date: | 2005-01-26 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution Acta Crystallogr.,Sect.D, 61, 2005
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2BIU
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![BU of 2biu by Molmil](/molmil-images/mine/2biu) | Crystal structure of human cyclophilin D at 1.7 A resolution, DMSO complex | Descriptor: | DIMETHYL SULFOXIDE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Hennig, M, Thoma, R, Stihle, M, Schlatter, D. | Deposit date: | 2005-01-26 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution Acta Crystallogr.,Sect.D, 61, 2005
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2JID
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![BU of 2jid by Molmil](/molmil-images/mine/2jid) | Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine | Descriptor: | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4 | Authors: | Hennig, M, Stihle, M, Luebbers, T, Thoma, R. | Deposit date: | 2007-02-28 | Release date: | 2008-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,3-Disubstituted 4-Aminopiperidines as Useful Tools in the Optimization of the 2-Aminobenzo[A]Quinolizine Dipeptidyl Peptidase Iv Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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3OC0
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![BU of 3oc0 by Molmil](/molmil-images/mine/3oc0) | Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | Descriptor: | (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2010-08-09 | Release date: | 2010-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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1CNV
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![BU of 1cnv by Molmil](/molmil-images/mine/1cnv) | CRYSTAL STRUCTURE OF CONCANAVALIN B AT 1.65 A RESOLUTION | Descriptor: | CONCANAVALIN B | Authors: | Hennig, M. | Deposit date: | 1995-02-20 | Release date: | 1996-03-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of concanavalin B at 1.65 A resolution. An "inactivated" chitinase from seeds of Canavalia ensiformis. J.Mol.Biol., 254, 1995
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1DHN
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![BU of 1dhn by Molmil](/molmil-images/mine/1dhn) | 1.65 ANGSTROM RESOLUTION STRUCTURE OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | 7,8-DIHYDRONEOPTERIN ALDOLASE | Authors: | Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G. | Deposit date: | 1998-03-31 | Release date: | 1999-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus. Nat.Struct.Biol., 5, 1998
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1LBM
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![BU of 1lbm by Molmil](/molmil-images/mine/1lbm) | |
1IGS
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![BU of 1igs by Molmil](/molmil-images/mine/1igs) | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS AT 2.0 A RESOLUTION | Descriptor: | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Hennig, M, Darimont, B, Kirschner, K, Jansonius, J.N. | Deposit date: | 1995-08-11 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 A structure of indole-3-glycerol phosphate synthase from the hyperthermophile Sulfolobus solfataricus: possible determinants of protein stability. Structure, 3, 1995
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1LBL
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![BU of 1lbl by Molmil](/molmil-images/mine/1lbl) | Crystal structure of indole-3-glycerol phosphate synthase (IGPS) in complex with 1-(o-carboxyphenylamino)-1-deoxyribulose 5'-phosphate (CdRP) | Descriptor: | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, indole-3-glycerol phosphate synthase | Authors: | Hennig, M, Darimont, B.D, Kirschner, K, Jansonius, J.N. | Deposit date: | 2002-04-04 | Release date: | 2002-09-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The catalytic mechanism of indole-3-glycerol phosphate synthase: Crystal structures of complexes of the enzyme from Sulfolobus solfataricus with the substrate analogue, substrate, and product J.Mol.Biol., 319, 2002
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1LBF
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![BU of 1lbf by Molmil](/molmil-images/mine/1lbf) | CRYSTAL STRUCTURE OF INDOLE-3-GLYCEROL PHOSPHATE SYNTASE (IGPS)WITH REDUCED 1-(O-CABOXYPHENYLAMINO)-1-DEOXYRIBULOSE 5-PHOSPHATE (RCDRP) | Descriptor: | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Hennig, M, Darimont, B, Kirschner, K, Jansonius, J.N. | Deposit date: | 2002-04-03 | Release date: | 2002-06-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The catalytic mechanism of indole-3-glycerol phosphate synthase: crystal structures of complexes of the enzyme from Sulfolobus solfataricus with substrate analogue, substrate, and product. J.Mol.Biol., 319, 2002
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1W6K
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![BU of 1w6k by Molmil](/molmil-images/mine/1w6k) | Structure of human OSC in complex with Lanosterol | Descriptor: | LANOSTEROL, LANOSTEROL SYNTHASE, octyl beta-D-glucopyranoside | Authors: | Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A. | Deposit date: | 2004-08-19 | Release date: | 2004-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase Nature, 432, 2004
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3BUG
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![BU of 3bug by Molmil](/molmil-images/mine/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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5NM2
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![BU of 5nm2 by Molmil](/molmil-images/mine/5nm2) | A2A Adenosine receptor cryo structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J. | Deposit date: | 2017-04-05 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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