9BOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bol by Molmil](/molmil-images/mine/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
|
|
9BJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bju by Molmil](/molmil-images/mine/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
|
|
5ZHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zhp by Molmil](/molmil-images/mine/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
|
|
5A62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a62 by Molmil](/molmil-images/mine/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
|
|
3O5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o5n by Molmil](/molmil-images/mine/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
|
|
2WTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtp by Molmil](/molmil-images/mine/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
|
|
2WTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wto by Molmil](/molmil-images/mine/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
|
|
3P86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p86 by Molmil](/molmil-images/mine/3p86) | |
3PPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ppz by Molmil](/molmil-images/mine/3ppz) | |
1XKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xke by Molmil](/molmil-images/mine/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
|
|
7P00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p00 by Molmil](/molmil-images/mine/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
|
|
7P02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p02 by Molmil](/molmil-images/mine/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
|
|
3RKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rkr by Molmil](/molmil-images/mine/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
|
|
1I2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i2e by Molmil](/molmil-images/mine/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
|
|
5CTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ctx by Molmil](/molmil-images/mine/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
|
|
5CPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cph by Molmil](/molmil-images/mine/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
|
|
5CTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ctw by Molmil](/molmil-images/mine/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
|
|
1I2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i2f by Molmil](/molmil-images/mine/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
|
|
1I3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i3f by Molmil](/molmil-images/mine/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
|
|
5CTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cty by Molmil](/molmil-images/mine/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
|
|
1I3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i3i by Molmil](/molmil-images/mine/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
|
|
1I2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i2g by Molmil](/molmil-images/mine/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
|
|
1HW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hw7 by Molmil](/molmil-images/mine/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
|
|
5CTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ctu by Molmil](/molmil-images/mine/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
|
|
7C9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c9r by Molmil](/molmil-images/mine/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
|
|