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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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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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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5A62
 | | Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | | Deposit date: | 2015-06-24 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function
To be Published
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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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2WTP
 | | Crystal Structure of Cu-form Czce from C. metallidurans CH34 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 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 (1.5 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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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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3P86
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3PPZ
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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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7P00
 | | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | | Deposit date: | 2021-06-29 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
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7P02
 | | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | | Deposit date: | 2021-06-29 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
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3RKR
 | | Crystal structure of a metagenomic short-chain oxidoreductase (SDR) in complex with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, Short chain oxidoreductase | | Authors: | Mayerhofer, H, Bijtenhoorn, P, Streit, W.R, Mueller-Dieckmann, J. | | Deposit date: | 2011-04-18 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | A novel metagenomic short-chain dehydrogenase/reductase attenuates Pseudomonas aeruginosa biofilm formation and virulence on Caenorhabditis elegans.
Plos One, 6, 2011
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1I2E
 | | Ribonuclease T1 V16A mutant, form I | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | | Deposit date: | 2001-02-09 | | Release date: | 2001-03-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrophobic core manipulations in ribonuclease T1
Biochemistry, 40, 2001
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5CTX
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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5CPH
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-21 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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5CTW
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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1I2F
 | | Ribonuclease T1 V16A mutant, form II | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | | Deposit date: | 2001-02-09 | | Release date: | 2001-03-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Hydrophobic core manipulations in ribonuclease T1
Biochemistry, 40, 2001
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1I3F
 | | Ribonuclease T1 V89S mutant | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | | Deposit date: | 2001-02-15 | | Release date: | 2001-03-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Hydrophobic core manipulations in ribonuclease T1
Biochemistry, 40, 2001
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5CTY
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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1I3I
 | | Ribonuclease T1 V78T mutant | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | | Deposit date: | 2001-02-15 | | Release date: | 2001-03-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Hydrophobic core manipulations in ribonuclease T1
Biochemistry, 40, 2001
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1I2G
 | | Ribonuclease T1 V16T mutant | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | | Deposit date: | 2001-02-09 | | Release date: | 2001-03-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Hydrophobic core manipulations in ribonuclease T1
Biochemistry, 40, 2001
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1HW7
 | | HSP33, HEAT SHOCK PROTEIN WITH REDOX-REGULATED CHAPERONE ACTIVITY | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEAT SHOCK PROTEIN HSP33, SULFATE ION, ... | | Authors: | Vijayalakshmi, J, Mukhergee, M.K, Graumann, J, Jakob, U, Saper, M.A. | | Deposit date: | 2001-01-09 | | Release date: | 2001-05-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 2.2 A crystal structure of Hsp33: a heat shock protein with redox-regulated chaperone activity.
Structure, 9, 2001
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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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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