3JWE
 
 | | Crystal structure of human mono-glyceride lipase in complex with SAR629 | | Descriptor: | 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein | | Authors: | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | | Deposit date: | 2009-09-18 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
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3JW8
 | | Crystal structure of human mono-glyceride lipase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein | | Authors: | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | | Deposit date: | 2009-09-18 | | Release date: | 2010-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
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6RTT
 | | Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with picolinic acid | | Descriptor: | GLYCEROL, PYRIDINE-2-CARBOXYLIC ACID, SULFATE ION, ... | | Authors: | Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I. | | Deposit date: | 2019-05-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
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6RTR
 | | Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I. | | Deposit date: | 2019-05-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
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6RTU
 | | Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with alpha-aminoadipic acid | | Descriptor: | 2-AMINOHEXANEDIOIC ACID, ACETATE ION, GLYCEROL, ... | | Authors: | Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I. | | Deposit date: | 2019-05-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
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6SDX
 | | Salmonella ATPase InvC with ATP gamma S | | Descriptor: | ATP synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M. | | Deposit date: | 2019-07-29 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
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6RAE
 | | Structural analysis of the Salmonella type III secretion system ATPase InvC | | Descriptor: | CHLORIDE ION, GLYCEROL, Secretory apparatus ATP synthase (Associated with virulence) | | Authors: | Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M. | | Deposit date: | 2019-04-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
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6RAD
 | | Salmonella ATPase InvC with ADP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M. | | Deposit date: | 2019-04-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019
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6RTS
 | | Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with NAD+ | | Descriptor: | ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I. | | Deposit date: | 2019-05-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
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7C9R
 | | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF THIORHODOVIBRIO STRAIN 970 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene, Alpha subunit 1 of light-harvesting 1 complex, ... | | Authors: | Tani, K, Kanno, R, Makino, Y, Hall, M, Takenouchi, M, Imanishi, M, Yu, L.-J, Overmann, J, Madigan, M.T, Kimura, Y, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | | Deposit date: | 2020-06-07 | | Release date: | 2020-10-07 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Cryo-EM structure of a Ca 2+ -bound photosynthetic LH1-RC complex containing multiple alpha beta-polypeptides.
Nat Commun, 11, 2020
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6TJV
 | | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | | Authors: | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | | Deposit date: | 2019-11-27 | | Release date: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
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1ZUX
 | | EosFP Fluorescent Protein- Green Form | | Descriptor: | green to red photoconvertible GPF-like protein EosFP | | Authors: | Nar, H, Nienhaus, K, Wiedenmann, J, Nienhaus, G.U. | | Deposit date: | 2005-06-01 | | Release date: | 2005-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for photo-induced protein cleavage and green-to-red conversion of fluorescent protein EosFP.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4PIC
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4TW6
 | | The Fk1 domain of FKBP51 in complex with iFit1 | | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4HGG
 | | Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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6HN3
 | | wildtype form (apo) of human GPX4 with Se-Cys46 | | Descriptor: | CHLORIDE ION, ETHANOL, GLYCEROL, ... | | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, J, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S. | | Deposit date: | 2018-09-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
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4HGF
 | | Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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4HGH
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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1RRP
 | | STRUCTURE OF THE RAN-GPPNHP-RANBD1 COMPLEX | | Descriptor: | MAGNESIUM ION, NUCLEAR PORE COMPLEX PROTEIN NUP358, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Vetter, I.R, Nowak, C, Nishimoto, T, Kuhlmann, J, Wittinghofer, A. | | Deposit date: | 1999-01-15 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Structure of a Ran-binding domain complexed with Ran bound to a GTP analogue: implications for nuclear transport.
Nature, 398, 1999
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4HGJ
 | | Crystal structure of P450 BM3 5F5 heme domain variant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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4HGI
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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3PPZ
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5HNI
 | | CRYSTAL STRUCTURE OF CMET WT with compound 3 | | Descriptor: | Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-18 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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5HO6
 | | CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. | | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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5HOR
 | | Crystal structure of c-Met-M1250T in complex with SAR125844. | | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Houtmann, J, Marquette, J.-P. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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