4LIP
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3LIP
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5LIP
| PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE | Descriptor: | CALCIUM ION, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER, TRIACYL-GLYCEROL HYDROLASE | Authors: | Lang, D.A, Dijkstra, B.W. | Deposit date: | 1997-09-02 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of the chiral selectivity of Pseudomonas cepacia lipase Eur.J.Biochem., 254, 1998
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1CVL
| CRYSTAL STRUCTURE OF BACTERIAL LIPASE FROM CHROMOBACTERIUM VISCOSUM ATCC 6918 | Descriptor: | CALCIUM ION, TRIACYLGLYCEROL HYDROLASE | Authors: | Lang, D.A, Hofmann, B, Haalck, L, Hecht, H.-J, Spener, F, Schmid, R.D, Schomburg, D. | Deposit date: | 1997-01-09 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a bacterial lipase from Chromobacterium viscosum ATCC 6918 refined at 1.6 angstroms resolution. J.Mol.Biol., 259, 1996
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1QGE
| NEW CRYSTAL FORM OF PSEUDOMONAS GLUMAE (FORMERLY CHROMOBACTERIUM VISCOSUM ATCC 6918) LIPASE | Descriptor: | CALCIUM ION, PROTEIN (TRIACYLGLYCEROL HYDROLASE) | Authors: | Lang, D.A, Stadler, P, Kovacs, A, Paltauf, F, Dijkstra, B.W. | Deposit date: | 1999-04-27 | Release date: | 1999-05-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Kinetic Investigations of Enantiomeric Binding Mode of Subclass I Lipases from the Family of Pseudomonadaceae To be Published
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6P3O
| Tetrahydroprotoberberine N-methyltransferase in complex with (S)-cis-N-methylstylopine and S-adenosylhomocysteine | Descriptor: | (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydroprotoberberine N-methyltransferase | Authors: | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2019-05-24 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
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6P3M
| Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylhomocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tetrahydroprotoberberine N-methyltransferase | Authors: | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2019-05-24 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
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6P3N
| Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, tetrahydroprotoberberine N-methyltransferase | Authors: | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2019-05-24 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
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1THF
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1ALX
| GRAMICIDIN D FROM BACILLUS BREVIS (METHANOL SOLVATE) | Descriptor: | GRAMICIDIN A, METHANOL | Authors: | Burkhart, B.M, Langs, D.A, Smith, G.D, Courseille, C, Precigoux, G, Hospital, M, Pangborn, W.A, Duax, W.L. | Deposit date: | 1997-06-05 | Release date: | 1998-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
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1ALZ
| GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | Descriptor: | ETHANOL, ILE-GRAMICIDIN C, VAL-GRAMICIDIN A | Authors: | Burkhart, B.M, Pangborn, W.A, Duax, W.L, Langs, D.A. | Deposit date: | 1997-06-06 | Release date: | 1998-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
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1AV2
| Gramicidin A/CsCl complex, active as a dimer | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | Authors: | Burkhart, B.M, Li, N, Langs, D.A, Duax, W.L. | Deposit date: | 1997-09-23 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix. Proc.Natl.Acad.Sci.USA, 95, 1998
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1AHO
| THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN | Descriptor: | TOXIN II | Authors: | Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R. | Deposit date: | 1997-04-08 | Release date: | 1997-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Ab initio structure determination and refinement of a scorpion protein toxin. Acta Crystallogr.,Sect.D, 53, 1997
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1W5U
| GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | Descriptor: | CHLORIDE ION, ETHANOL, GRAMICIDIN D, ... | Authors: | Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z. | Deposit date: | 2004-08-10 | Release date: | 2005-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure of Gramicidin D-Rbcl Complex at Atomic Resolution from Low-Temperature Synchrotron Data: Interactions of Double-Stranded Gramicidin Channel Contents and Cations with Channel Wall Acta Crystallogr.,Sect.D, 61, 2005
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1QO2
| Crystal structure of N-((5'-phosphoribosyl)-formimino)-5-aminoimidazol-4-carboxamid ribonucleotid isomerase (EC 3.1.3.15, HisA) | Descriptor: | | Authors: | Wilmanns, M, Lang, D, Thoma, R, Sterner, R. | Deposit date: | 1999-11-01 | Release date: | 2000-07-12 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Evidence for Evolution of the Beta/Alpha-Barrel Scaffold by Repeated Gene Duplication and Fusion Science, 289, 2000
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1JB8
| The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3' | Authors: | Han, G.W, Kopka, M.L, Langs, D, Dickerson, R.E. | Deposit date: | 2001-06-02 | Release date: | 2003-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structure of an RNADNA hybrid reveals intermolecular
intercalation: Dimer formation by base-pair swapping Proc.Natl.Acad.Sci.USA, 100, 2003
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1EVQ
| THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SERINE HYDROLASE | Authors: | De Simone, G, Galdiero, S, Manco, G, Lang, D, Rossi, M, Pedone, C. | Deposit date: | 2000-04-20 | Release date: | 2000-11-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase. J.Mol.Biol., 303, 2000
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8BO7
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO4
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO3
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO5
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO6
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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1EX9
| CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA LIPASE COMPLEXED WITH RC-(RP,SP)-1,2-DIOCTYLCARBAMOYL-GLYCERO-3-O-OCTYLPHOSPHONATE | Descriptor: | CALCIUM ION, LACTONIZING LIPASE, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER | Authors: | Nardini, M, Lang, D.A, Liebeton, K, Jaeger, K.-E, Dijkstra, B.W. | Deposit date: | 2000-05-02 | Release date: | 2000-10-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of pseudomonas aeruginosa lipase in the open conformation. The prototype for family I.1 of bacterial lipases. J.Biol.Chem., 275, 2000
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1DB2
| CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN ACTIVATOR INHIBITOR-1 | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | Authors: | Nar, H, Bauer, M, Stassen, J.M, Lang, D, Gils, A, Declerck, P. | Deposit date: | 1999-11-02 | Release date: | 1999-11-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Plasminogen activator inhibitor 1. Structure of the native serpin, comparison to its other conformers and implications for serpin inactivation. J.Mol.Biol., 297, 2000
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5A0A
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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