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4PSK
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BU of 4psk by Molmil
Mycobacterium tuberculosis RecA phosphate bound low temperature structure I-LT
Descriptor: PHOSPHATE ION, Protein RecA, 1st part, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-07
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4OQF
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BU of 4oqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-SR
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-09
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
3SX4
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BU of 3sx4 by Molmil
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
3SWW
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BU of 3sww by Molmil
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
3Q0T
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BU of 3q0t by Molmil
Crystal structure of human dpp-iv in complex withsa-(+)- methyl2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl- 7-oxo-5h-pyrrolo[3,4-b]pyridin-6(7h)-yl)acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Klei, H.E.
Deposit date:2010-12-16
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Discovery of 7-oxo-pyrrolopyridines as potent and selective inhibitors of dpp4
To be Published
1RXF
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BU of 1rxf by Molmil
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
1RXG
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BU of 1rxg by Molmil
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
1LPA
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BU of 1lpa by Molmil
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
2LU1
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BU of 2lu1 by Molmil
pfsub2 solution NMR structure
Descriptor: Subtilase
Authors:He, Y, Chen, Y, Ruan, B, O'Brochta, D, Bryan, P, Orban, J.
Deposit date:2012-06-06
Release date:2012-10-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of a sheddase inhibitor prodomain from the malarial parasite Plasmodium falciparum.
Proteins, 80, 2012
7FDS
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BU of 7fds by Molmil
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:2024-10-09
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
1NYN
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BU of 1nyn by Molmil
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
3BC5
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BU of 3bc5 by Molmil
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
1P9Q
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BU of 1p9q by Molmil
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
1ETH
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BU of 1eth by Molmil
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
1GD6
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BU of 1gd6 by Molmil
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
1LPB
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BU of 1lpb by Molmil
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
3UOU
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BU of 3uou by Molmil
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
3PUP
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BU of 3pup by Molmil
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
2YAK
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BU of 2yak by Molmil
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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