4OL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ol4 by Molmil](/molmil-images/mine/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
|
|
4FEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fej by Molmil](/molmil-images/mine/4fej) | Crystal structure of the A24U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine | Descriptor: | A24U mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | Deposit date: | 2012-05-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch. J.Mol.Biol., 425, 2013
|
|
4FEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fep by Molmil](/molmil-images/mine/4fep) | Crystal structure of the A24U/U25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with 2,6-diaminopurine | Descriptor: | 9H-PURINE-2,6-DIAMINE, A24U/U25A/A46G/C74U mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain, COBALT HEXAMMINE(III) | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | Deposit date: | 2012-05-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch. J.Mol.Biol., 425, 2013
|
|
4FEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4feo by Molmil](/molmil-images/mine/4feo) | Crystal structure of the AU25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with 2,6-diaminopurine | Descriptor: | 9H-PURINE-2,6-DIAMINE, COBALT HEXAMMINE(III), U25A/A46G/C74U mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | Deposit date: | 2012-05-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch. J.Mol.Biol., 425, 2013
|
|
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
|
|
4TW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tw7 by Molmil](/molmil-images/mine/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
|
|
3I4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i4o by Molmil](/molmil-images/mine/3i4o) | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
3CFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cff by Molmil](/molmil-images/mine/3cff) | |
4PWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pws by Molmil](/molmil-images/mine/4pws) | Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) at 2.15 A with bound chloride from Mycobacterium tuberculosis | Descriptor: | CHLORIDE ION, 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: | 2014-03-21 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28 J.Biol.Chem., 291, 2016
|
|
4PL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pl9 by Molmil](/molmil-images/mine/4pl9) | |
3P86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p86 by Molmil](/molmil-images/mine/3p86) | |
5A8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a8j by Molmil](/molmil-images/mine/5a8j) | Crystal structure of the ArnB paralog VWA2 from Sulfolobus acidocaldarius | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V. | Deposit date: | 2015-07-16 | Release date: | 2016-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility To be Published
|
|
5A8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a8i by Molmil](/molmil-images/mine/5a8i) | Crystal structure of the FHA domain of ArnA from Sulfolobus acidocaldarius | Descriptor: | ARNA, GLYCEROL, SULFATE ION | Authors: | Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V. | Deposit date: | 2015-07-16 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility To be Published
|
|
1QDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qds by Molmil](/molmil-images/mine/1qds) | SUPERSTABLE E65Q MUTANT OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE (TIM) | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE | Authors: | Lambeir, A.M, Backmann, J, Ruiz-Sanz, J, Filimonov, V, Nielsen, J.E, Vriend, G, Kursula, I, Norledge, B.V, Wierenga, R.K. | Deposit date: | 1999-07-10 | Release date: | 2000-12-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The ionization of a buried glutamic acid is thermodynamically linked to the stability of Leishmania mexicana triose phosphate isomerase. Eur.J.Biochem., 267, 2000
|
|
2OB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ob2 by Molmil](/molmil-images/mine/2ob2) | ppm1 in the absence of 1,8-ANS (cf 1JD) | Descriptor: | GLYCEROL, Leucine carboxyl methyltransferase 1, PHOSPHATE ION, ... | Authors: | Groves, M.R, Mueller, I.B, Kreplin, X, Mueller-Dieckmann, J. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye. Acta Crystallogr.,Sect.D, 63, 2007
|
|
1CZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cz5 by Molmil](/molmil-images/mine/1cz5) | NMR STRUCTURE OF VAT-N: THE N-TERMINAL DOMAIN OF VAT (VCP-LIKE ATPASE OF THERMOPLASMA) | Descriptor: | VCP-LIKE ATPASE | Authors: | Coles, M, Diercks, T, Liermann, J, Groeger, A, Rockel, B, Baumeister, W, Koretke, K, Lupas, A, Peters, J, Kessler, H. | Deposit date: | 1999-09-01 | Release date: | 1999-10-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of VAT-N reveals a 'missing link' in the evolution of complex enzymes from a simple betaalphabetabeta element. Curr.Biol., 9, 1999
|
|
4TW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tw8 by Molmil](/molmil-images/mine/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
|
|