1NYN
 
 | | Solution NMR Structure of Protein YHR087W from Saccharomyces cerevisiae. Northeast Structural Genomics Consortium Target YTYST425. | | Descriptor: | Hypothetical 12.0 kDa protein in NAM8-GAR1 intergenic region | | Authors: | Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-13 | | Release date: | 2003-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The Shwachman-Bodian-Diamond syndrome protein family is involved in RNA metabolism.
J.Biol.Chem., 280, 2005
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3UOU
 | | Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase | | Descriptor: | Chymotrypsin-like elastase family member 1, GLYCEROL, Kunitz-type proteinase inhibitor SHPI-1, ... | | Authors: | Garcia-Fernandez, R, Perbandt, M, Rehders, D, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L. | | Deposit date: | 2011-11-17 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional Structure of a Kunitz-type Inhibitor in Complex with an Elastase-like Enzyme.
J.Biol.Chem., 290, 2015
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3Q0T
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3SWW
 | | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | | Authors: | Klei, H.E. | | Deposit date: | 2011-07-14 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
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3BC5
 | | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | | Descriptor: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2007-11-12 | | Release date: | 2008-11-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
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3SX4
 | | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | | Authors: | Klei, H.E. | | Deposit date: | 2011-07-14 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
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1P9Q
 | | Structure of a hypothetical protein AF0491 from Archaeoglobus fulgidus | | Descriptor: | Hypothetical protein AF0491 | | Authors: | Savchenko, A, Evdokimova, E, Skarina, T, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A. | | Deposit date: | 2003-05-12 | | Release date: | 2004-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Shwachman-Bodian-Diamond syndrome protein family is involved in RNA metabolism.
J.Biol.Chem., 280, 2005
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1ETH
 | | TRIACYLGLYCEROL LIPASE/COLIPASE COMPLEX | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Hermoso, J, Pignol, D, Kerfelec, B, Crenon, I, Chapus, C, Fontecilla-Camps, J.C. | | Deposit date: | 1995-09-13 | | Release date: | 1996-12-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lipase activation by nonionic detergents. The crystal structure of the porcine lipase-colipase-tetraethylene glycol monooctyl ether complex.
J.Biol.Chem., 271, 1996
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1GD6
 | | STRUCTURE OF THE BOMBYX MORI LYSOZYME | | Descriptor: | LYSOZYME | | Authors: | Matsuura, A, Aizawa, T, Yao, M, Kawano, K, Tanaka, I, Nitta, K. | | Deposit date: | 2000-09-19 | | Release date: | 2001-03-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of an insect lysozyme exhibiting catalytic efficiency at low temperatures.
Biochemistry, 41, 2002
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1LPA
 | | INTERFACIAL ACTIVATION OF THE LIPASE-PROCOLIPASE COMPLEX BY MIXED MICELLES REVEALED BY X-RAY CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, COLIPASE, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Van Tilbeurgh, H, Egloff, M.-P, Cambillau, C. | | Deposit date: | 1994-08-19 | | Release date: | 1994-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Interfacial activation of the lipase-procolipase complex by mixed micelles revealed by X-ray crystallography.
Nature, 362, 1993
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4JH0
 | | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | | Descriptor: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | | Authors: | Klei, H.E. | | Deposit date: | 2013-03-04 | | Release date: | 2013-09-04 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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3PUP
 | | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | | Authors: | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
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7FDS
 | | High resolution crystal structure of LpqH from Mycobacterium tuberculosis | | Descriptor: | Lipoprotein LpqH | | Authors: | Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A. | | Deposit date: | 2021-07-17 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.258 Å) | | Cite: | High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface.
Int.J.Biol.Macromol., 210, 2022
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1LPB
 | | THE 2.46 ANGSTROMS RESOLUTION STRUCTURE OF THE PANCREATIC LIPASE COLIPASE COMPLEX INHIBITED BY A C11 ALKYL PHOSPHONATE | | Descriptor: | CALCIUM ION, COLIPASE, LIPASE, ... | | Authors: | Egloff, M.-P, Van Tilbeurgh, H, Cambillau, C. | | Deposit date: | 1994-08-19 | | Release date: | 1994-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | The 2.46 A resolution structure of the pancreatic lipase-colipase complex inhibited by a C11 alkyl phosphonate.
Biochemistry, 34, 1995
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1RXF
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | | Deposit date: | 1998-06-05 | | Release date: | 1999-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a cephalosporin synthase.
Nature, 394, 1998
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1RXG
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | | Deposit date: | 1998-06-05 | | Release date: | 1999-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a cephalosporin synthase.
Nature, 394, 1998
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2YAK
 | | Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV) | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | | Authors: | Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E. | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
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