6VSW
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![BU of 6vsw by Molmil](/molmil-images/mine/6vsw) | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | Authors: | Spurlino, J, Milligan, C. | Deposit date: | 2020-02-12 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t. Bioorg.Med.Chem.Lett., 30, 2020
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3DQV
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![BU of 3dqv by Molmil](/molmil-images/mine/3dqv) | Structural Insights into NEDD8 Activation of Cullin-RING Ligases: Conformational Control of Conjugation | Descriptor: | Cullin-5, NEDD8, Rbx1, ... | Authors: | Duda, D.M, Borg, L.A, Scott, D.C, Hunt, H.W, Hammel, M, Schulman, B.A. | Deposit date: | 2008-07-09 | Release date: | 2008-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into NEDD8 activation of cullin-RING ligases: conformational control of conjugation. Cell(Cambridge,Mass.), 134, 2008
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6PUU
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![BU of 6puu by Molmil](/molmil-images/mine/6puu) | Human TRPM2 bound to 8-Br-cADPR and calcium | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2 | Authors: | Du, J, Lu, W, Huang, Y. | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel. Elife, 8, 2019
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3B6T
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![BU of 3b6t by Molmil](/molmil-images/mine/3b6t) | Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686A Mutant in Complex with Quisqualate at 2.1 Resolution | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | Authors: | Cho, Y, Lolis, E, Howe, J.R. | Deposit date: | 2007-10-29 | Release date: | 2008-02-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating. J.Neurosci., 28, 2008
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6HCA
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![BU of 6hca by Molmil](/molmil-images/mine/6hca) | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION | Descriptor: | 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2018-08-14 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett., 10, 2019
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7T5X
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![BU of 7t5x by Molmil](/molmil-images/mine/7t5x) | P. aeruginosa LpxA in complex with ligand L6 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T5Z
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![BU of 7t5z by Molmil](/molmil-images/mine/7t5z) | P. aeruginosa LpxA in complex with ligand L8 | Descriptor: | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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3M9W
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![BU of 3m9w by Molmil](/molmil-images/mine/3m9w) | |
7T60
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![BU of 7t60 by Molmil](/molmil-images/mine/7t60) | P. aeruginosa LpxA in complex with ligand L13 | Descriptor: | (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T61
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![BU of 7t61 by Molmil](/molmil-images/mine/7t61) | P. aeruginosa LpxA in complex with ligand L15 | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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1NVB
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![BU of 1nvb by Molmil](/molmil-images/mine/1nvb) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1NRX
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![BU of 1nrx by Molmil](/molmil-images/mine/1nrx) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-01-26 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1NVA
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![BU of 1nva by Molmil](/molmil-images/mine/1nva) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and ADP | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1NVF
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![BU of 1nvf by Molmil](/molmil-images/mine/1nvf) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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6NWK
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![BU of 6nwk by Molmil](/molmil-images/mine/6nwk) | |
1E4E
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![BU of 1e4e by Molmil](/molmil-images/mine/1e4e) | D-alanyl-D-lacate ligase | Descriptor: | 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Roper, D.I. | Deposit date: | 2000-07-03 | Release date: | 2001-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The molecular basis of vancomycin resistance in clinically relevant Enterococci: crystal structure of D-alanyl-D-lactate ligase (VanA). Proc. Natl. Acad. Sci. U.S.A., 97, 2000
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5A13
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![BU of 5a13 by Molmil](/molmil-images/mine/5a13) | |
3NIH
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![BU of 3nih by Molmil](/molmil-images/mine/3nih) | The structure of UBR box (RIAAA) | Descriptor: | E3 ubiquitin-protein ligase UBR1, Peptide RIAAA, ZINC ION | Authors: | Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K. | Deposit date: | 2010-06-16 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases Nat.Struct.Mol.Biol., 17, 2010
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2ZFX
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![BU of 2zfx by Molmil](/molmil-images/mine/2zfx) | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2008-01-15 | Release date: | 2009-01-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301 Acta Crystallogr.,Sect.F, 64, 2008
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1ND7
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![BU of 1nd7 by Molmil](/molmil-images/mine/1nd7) | Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase | Descriptor: | WW domain-containing protein 1 | Authors: | Verdecia, M.A, Joaziero, C.A.P, Wells, N.J, Ferrer, J.-L, Bowman, M.E, Hunter, T, Noel, J.P. | Deposit date: | 2002-12-08 | Release date: | 2003-09-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase Mol.Cell, 11, 2003
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3B6Q
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![BU of 3b6q by Molmil](/molmil-images/mine/3b6q) | |
3NIL
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![BU of 3nil by Molmil](/molmil-images/mine/3nil) | The structure of UBR box (RDAA) | Descriptor: | ACETATE ION, E3 ubiquitin-protein ligase UBR1, Peptide RDAA, ... | Authors: | Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K. | Deposit date: | 2010-06-16 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases Nat.Struct.Mol.Biol., 17, 2010
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3RIR
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![BU of 3rir by Molmil](/molmil-images/mine/3rir) | |
3NIK
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![BU of 3nik by Molmil](/molmil-images/mine/3nik) | The structure of UBR box (REAA) | Descriptor: | E3 ubiquitin-protein ligase UBR1, Peptide REAA, ZINC ION | Authors: | Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K. | Deposit date: | 2010-06-16 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases Nat.Struct.Mol.Biol., 17, 2010
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3NIS
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![BU of 3nis by Molmil](/molmil-images/mine/3nis) | The structure of UBR box (native2) | Descriptor: | ACETATE ION, E3 ubiquitin-protein ligase UBR1, ZINC ION | Authors: | Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K. | Deposit date: | 2010-06-16 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases Nat.Struct.Mol.Biol., 17, 2010
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