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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5HLW
 | | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | | Descriptor: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | | Deposit date: | 2016-01-15 | | 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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6TPK
 | | Crystal structure of the human oxytocin receptor | | Descriptor: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Waltenspuehl, Y, Schoeppe, J, Ehrenmann, J, Kummer, L, Plueckthun, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-08-05 | | Last modified: | 2020-09-02 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human oxytocin receptor.
Sci Adv, 6, 2020
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4NFU
 | | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | | Deposit date: | 2013-11-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
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4EPL
 | | Crystal Structure of Arabidopsis thaliana GH3.11 (JAR1) in Complex with JA-Ile | | Descriptor: | Jasmonic acid-amido synthetase JAR1, N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine | | Authors: | Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M. | | Deposit date: | 2012-04-17 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.007 Å) | | Cite: | Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
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1UUH
 | | Hyaluronan binding domain of human CD44 | | Descriptor: | CD44 ANTIGEN | | Authors: | Teriete, P, Banerji, S, Noble, M, Blundell, C, Wright, A, Pickford, A, Lowe, E, Mahoney, D, Tammi, M, Kahmann, J, Campbell, I, Day, A, Jackson, D. | | Deposit date: | 2003-12-19 | | Release date: | 2004-03-04 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Regulatory Hyaluronan-Binding Domain in the Inflammatory Leukocyte Homing Receptor Cd44
Mol.Cell, 13, 2004
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4NJ9
 | | Crystal structure of Fab 8B10 in complex with MPTS | | Descriptor: | 8-methoxypyrene-1,3,6-trisulfonic acid, 8B10 heavy chain, 8B10 light chain, ... | | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | | Deposit date: | 2013-11-08 | | Release date: | 2014-11-12 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
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4NJA
 | | Crystal structure of Fab 6C8 in complex with MPTS | | Descriptor: | 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ... | | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | | Deposit date: | 2013-11-08 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
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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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9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-04-25 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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9BOL
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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4TW8
 | | The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL | | Descriptor: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4 | | 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 (3.003 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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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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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, 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 (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2WTO
 | | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | | Deposit date: | 2009-09-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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1XKE
 | | Solution structure of the second Ran-binding domain from human RanBP2 | | Descriptor: | Ran-binding protein 2 | | Authors: | Geyer, J.P, Doeker, R, Kremer, W, Zhao, X, Kuhlmann, J, Kalbitzer, H.R. | | Deposit date: | 2004-09-28 | | Release date: | 2005-04-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Ran-binding domain 2 of RanBP2 and its interaction with the C terminus of Ran.
J.Mol.Biol., 348, 2005
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3O5N
 | | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Chemmedchem, 6, 2011
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3P86
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3PPZ
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3S1T
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4OL4
 | | Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis | | Descriptor: | Proline-rich 28 kDa antigen | | Authors: | Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K. | | Deposit date: | 2014-01-23 | | Release date: | 2015-01-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28
J.Biol.Chem., 291, 2016
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4PL9
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4O2B
 | | Tubulin-Colchicine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
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