8GPU
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![BU of 8gpu by Molmil](/molmil-images/mine/8gpu) | YFV_E_YD6Fab_prefusion | Descriptor: | Envelope protein, YD6Fab_H, YD6Fab_L | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | Deposit date: | 2022-08-27 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus. Innovation (N Y), 3, 2022
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8BI8
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![BU of 8bi8 by Molmil](/molmil-images/mine/8bi8) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | Descriptor: | Nitric oxide synthase, brain | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8BI9
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![BU of 8bi9 by Molmil](/molmil-images/mine/8bi9) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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4TLR
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![BU of 4tlr by Molmil](/molmil-images/mine/4tlr) | NS5b in complex with lactam-thiophene carboxylic acids | Descriptor: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | Authors: | Chopra, R. | Deposit date: | 2014-05-30 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4AWQ
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![BU of 4awq by Molmil](/molmil-images/mine/4awq) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWO
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![BU of 4awo by Molmil](/molmil-images/mine/4awo) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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6A6X
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![BU of 6a6x by Molmil](/molmil-images/mine/6a6x) | The crystal structure of the Mtb MazE-MazF-mt9 complex | Descriptor: | Antitoxin MazE7, Probable endoribonuclease MazF7, SULFATE ION | Authors: | Xie, W, Chen, R, Tu, J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Characterization of the Cognate and Heterologous Interactions of the MazEF-mt9 TA System. Acs Infect Dis., 5, 2019
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3SBE
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![BU of 3sbe by Molmil](/molmil-images/mine/3sbe) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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3SBD
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![BU of 3sbd by Molmil](/molmil-images/mine/3sbd) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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3TH5
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![BU of 3th5 by Molmil](/molmil-images/mine/3th5) | Crystal structure of wild-type RAC1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-08-18 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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4R68
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![BU of 4r68 by Molmil](/molmil-images/mine/4r68) | Lactate Dehydrogenase in complex with inhibitor compound 31 | Descriptor: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2014-08-22 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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4R69
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![BU of 4r69 by Molmil](/molmil-images/mine/4r69) | Lactate Dehydrogenase in complex with inhibitor compound 13 | Descriptor: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2014-08-22 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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4QO7
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![BU of 4qo7 by Molmil](/molmil-images/mine/4qo7) | |
4QO8
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![BU of 4qo8 by Molmil](/molmil-images/mine/4qo8) | Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | Descriptor: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2014-06-19 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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2GU8
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![BU of 2gu8 by Molmil](/molmil-images/mine/2gu8) | |
4AWP
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![BU of 4awp by Molmil](/molmil-images/mine/4awp) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4BD7
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![BU of 4bd7 by Molmil](/molmil-images/mine/4bd7) | Bax domain swapped dimer induced by octylmaltoside | Descriptor: | APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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8GY7
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![BU of 8gy7 by Molmil](/molmil-images/mine/8gy7) | Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein | Descriptor: | CALCIUM ION, Corticotropin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Luo, P, Feng, W.B, Ma, S.S, Dai, A.T, Yuan, Q.N, Wu, K, Yang, D.H, Wang, M.W, Xu, H.E, Jiang, Y. | Deposit date: | 2022-09-21 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of signaling regulation of the human melanocortin-2 receptor by MRAP1. Cell Res., 33, 2023
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4BD6
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![BU of 4bd6 by Molmil](/molmil-images/mine/4bd6) | Bax domain swapped dimer in complex with BaxBH3 | Descriptor: | APOPTOSIS REGULATOR BAX | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BD8
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![BU of 4bd8 by Molmil](/molmil-images/mine/4bd8) | Bax domain swapped dimer induced by BimBH3 with CHAPS | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BD2
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![BU of 4bd2 by Molmil](/molmil-images/mine/4bd2) | Bax domain swapped dimer in complex with BidBH3 | Descriptor: | APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-04 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BDU
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![BU of 4bdu by Molmil](/molmil-images/mine/4bdu) | Bax BH3-in-Groove dimer (GFP) | Descriptor: | GREEN FLUORESCENT PROTEIN, APOPTOSIS REGULATOR BAX | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2012-10-08 | Release date: | 2013-02-13 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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7XN4
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![BU of 7xn4 by Molmil](/molmil-images/mine/7xn4) | Cryo-EM structure of CopC-CaM-caspase-3 with NAD+ | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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7XN5
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![BU of 7xn5 by Molmil](/molmil-images/mine/7xn5) | Cryo-EM structure of CopC-CaM-caspase-3 with ADPR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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