1KTX
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![BU of 1ktx by Molmil](/molmil-images/mine/1ktx) | KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS | Descriptor: | KALIOTOXIN | Authors: | Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E. | Deposit date: | 1994-06-02 | Release date: | 1995-01-26 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Kaliotoxin (1-37) shows structural differences with related potassium channel blockers. Biochemistry, 33, 1994
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5CFE
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![BU of 5cfe by Molmil](/molmil-images/mine/5cfe) | Bacillus subtilis AP endonuclease ExoA | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Exodeoxyribonuclease | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2015-07-08 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural comparison of AP endonucleases from the exonuclease III family reveals new amino acid residues in human AP endonuclease 1 that are involved in incision of damaged DNA. Biochimie, 128-129, 2016
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5CFG
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![BU of 5cfg by Molmil](/molmil-images/mine/5cfg) | C2 crystal form of APE1 with Mg2+ | Descriptor: | DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2015-07-08 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural comparison of AP endonucleases from the exonuclease III family reveals new amino acid residues in human AP endonuclease 1 that are involved in incision of damaged DNA. Biochimie, 128-129, 2016
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6HBY
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![BU of 6hby by Molmil](/molmil-images/mine/6hby) | HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | Deposit date: | 2018-08-13 | Release date: | 2019-08-14 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope. J.Biol.Chem., 294, 2019
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5VYF
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8PJE
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![BU of 8pje by Molmil](/molmil-images/mine/8pje) | Human Leukocyte Antigen class II allotype DR1 presenting influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAT | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Hesketh, S.J, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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8PJF
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![BU of 8pjf by Molmil](/molmil-images/mine/8pjf) | Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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8PJG
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![BU of 8pjg by Molmil](/molmil-images/mine/8pjg) | F11 TCR in complex with Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J. | Deposit date: | 2023-06-23 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
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5YPS
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![BU of 5yps by Molmil](/molmil-images/mine/5yps) | The structural basis of histone chaperoneVps75 | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | Deposit date: | 2017-11-03 | Release date: | 2018-11-07 | Last modified: | 2020-06-10 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii. Signal Transduct Target Ther, 4, 2019
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6FCE
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![BU of 6fce by Molmil](/molmil-images/mine/6fce) | NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | Descriptor: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | Authors: | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | Deposit date: | 2017-12-20 | Release date: | 2018-04-25 | Last modified: | 2018-05-23 | Method: | SOLUTION NMR | Cite: | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors. J. Med. Chem., 61, 2018
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5ZB5
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![BU of 5zb5 by Molmil](/molmil-images/mine/5zb5) | The structural basis of histone chaperoneVps75 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75 | Authors: | Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D. | Deposit date: | 2018-02-09 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii. Signal Transduct Target Ther, 4, 2019
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4DVH
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![BU of 4dvh by Molmil](/molmil-images/mine/4dvh) | Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | Descriptor: | FE (III) ION, Superoxide dismutase | Authors: | Larrieux, N, Buschiazzo, A. | Deposit date: | 2012-02-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER. J.Biol.Chem., 289, 2014
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3COH
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![BU of 3coh by Molmil](/molmil-images/mine/3coh) | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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6QN1
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![BU of 6qn1 by Molmil](/molmil-images/mine/6qn1) | T=4 quasi-symmetric bacterial microcompartment particle | Descriptor: | BMC domain-containing protein, Carbon dioxide concentrating mechanism protein CcmL | Authors: | Kalnins, G. | Deposit date: | 2019-02-08 | Release date: | 2019-12-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Encapsulation mechanisms and structural studies of GRM2 bacterial microcompartment particles. Nat Commun, 11, 2020
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8QQV
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8QQW
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8QQT
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![BU of 8qqt by Molmil](/molmil-images/mine/8qqt) | Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) ATP+ppGpp-bound form, compressed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Bulvas, O, Kouba, T, Pichova, I. | Deposit date: | 2023-10-06 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase. Nat Commun, 15, 2024
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8QQR
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![BU of 8qqr by Molmil](/molmil-images/mine/8qqr) | Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) ATP+ppGpp-bound form, super-compressed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Bulvas, O, Kouba, T, Pichova, I. | Deposit date: | 2023-10-06 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase. Nat Commun, 15, 2024
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8QQQ
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![BU of 8qqq by Molmil](/molmil-images/mine/8qqq) | Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) ATP+GTP-bound form, compressed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Bulvas, O, Kouba, T, Pichova, I. | Deposit date: | 2023-10-06 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase. Nat Commun, 15, 2024
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8QQX
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8QQP
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![BU of 8qqp by Molmil](/molmil-images/mine/8qqp) | Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) ATP+GTP-bound form, super-compressed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Bulvas, O, Kouba, T, Pichova, I. | Deposit date: | 2023-10-06 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase. Nat Commun, 15, 2024
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8PW3
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8Q65
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5JDU
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![BU of 5jdu by Molmil](/molmil-images/mine/5jdu) | Crystal structure for human thrombin mutant D189A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2016-04-17 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin. Biochemistry, 55, 2016
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3P9J
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![BU of 3p9j by Molmil](/molmil-images/mine/3p9j) | Aurora A kinase domain with phthalazinone pyrazole inhibitor | Descriptor: | 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6 | Authors: | Kairies, N.A, Oliveira, T, Engh, R.A. | Deposit date: | 2010-10-17 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase. J.Med.Chem., 54, 2011
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