1I2E
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![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
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1I2F
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![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
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1I3F
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![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
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1I3I
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![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
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1I2G
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![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
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4FEL
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![BU of 4fel by Molmil](/molmil-images/mine/4fel) | Crystal structure of the U25A/A46G mutant of the xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ... | 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
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4FEJ
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![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
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4FEP
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![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
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6RAE
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![BU of 6rae by Molmil](/molmil-images/mine/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
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![BU of 6rad by Molmil](/molmil-images/mine/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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1I2M
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![BU of 1i2m by Molmil](/molmil-images/mine/1i2m) | RAN-RCC1-SO4 COMPLEX | Descriptor: | GTP-BINDING NUCLEAR PROTEIN RAN, REGULATOR OF CHROMOSOME CONDENSATION 1, SULFATE ION | Authors: | Renault, L, Kuhlmann, J, Henkel, A, Wittinghofer, A. | Deposit date: | 2001-02-11 | Release date: | 2001-05-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis for guanine nucleotide exchange on Ran by the regulator of chromosome condensation (RCC1). Cell(Cambridge,Mass.), 105, 2001
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7C9R
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![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
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9BJU
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![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
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9BOL
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![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
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4TW8
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![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
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4TW6
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![BU of 4tw6 by Molmil](/molmil-images/mine/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
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![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
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5ZHP
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![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
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1XKE
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![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
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3O5N
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![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
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3P86
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![BU of 3p86 by Molmil](/molmil-images/mine/3p86) | |
4PL9
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![BU of 4pl9 by Molmil](/molmil-images/mine/4pl9) | |
4PWS
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![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
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3CU8
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![BU of 3cu8 by Molmil](/molmil-images/mine/3cu8) | Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome | Descriptor: | 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ... | Authors: | Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C. | Deposit date: | 2008-04-16 | Release date: | 2009-05-05 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol. Cell. Biol., 30, 2010
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2OB2
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![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
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