7M2F
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![BU of 7m2f by Molmil](/molmil-images/mine/7m2f) | CDK2 with compound 14 inhibitor with carboxylate | Descriptor: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | Authors: | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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4RK4
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![BU of 4rk4 by Molmil](/molmil-images/mine/4rk4) | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound glucose | Descriptor: | SODIUM ION, Transcriptional regulator, LacI family, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911 To be Published
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4S0Q
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4RM6
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![BU of 4rm6 by Molmil](/molmil-images/mine/4rm6) | Crystal structure of Hemopexin Binding Protein | Descriptor: | Heme/hemopexin-binding protein | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | Deposit date: | 2014-10-20 | Release date: | 2016-05-18 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae. Nat Commun, 7, 2016
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4S1D
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![BU of 4s1d by Molmil](/molmil-images/mine/4s1d) | Structure of IgG1 Fab fragment in complex with Biotincytidinamide | Descriptor: | MAB M33 FAB FRAGMENT, heavy chain, light chain, ... | Authors: | Dengl, S, Hoffmann, E, Grote, M, Wagner, C, Mundigl, O, Georges, G, Theorey, I, Stubenrauch, K.-G, Bujotzek, A, Josel, H.-P, Dziadek, S, Benz, J, Brinkmann, U. | Deposit date: | 2015-01-13 | Release date: | 2015-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies. Faseb J., 29, 2015
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5J10
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![BU of 5j10 by Molmil](/molmil-images/mine/5j10) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | peptide design 2L4HC2_24 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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4S3N
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![BU of 4s3n by Molmil](/molmil-images/mine/4s3n) | Crystal structure of human OAS3 domain I in complex with dsRNA | Descriptor: | 2'-5'-oligoadenylate synthase 3, RNA (5'-R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3'), RNA (5'-R(*UP*UP*CP*AP*UP*AP*AP*AP*GP*GP*UP*CP*AP*AP*AP*AP*GP*CP*C)-3') | Authors: | Donovan, J, Whitney, G, Rath, S, Korennykh, A. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural mechanism of sensing long dsRNA via a noncatalytic domain in human oligoadenylate synthetase 3. Proc.Natl.Acad.Sci.USA, 112, 2015
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7MJR
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![BU of 7mjr by Molmil](/molmil-images/mine/7mjr) | Vip4Da2 toxin structure | Descriptor: | CALCIUM ION, SULFATE ION, Vip4Da1 protein | Authors: | Rydel, T.J, Duda, D, Zheng, M, Henry, A. | Deposit date: | 2021-04-20 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm. Plos One, 16, 2021
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4RPE
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2IBN
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![BU of 2ibn by Molmil](/molmil-images/mine/2ibn) | Crystal structure of Human myo-Inositol Oxygenase (MIOX) | Descriptor: | (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ... | Authors: | Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-11 | Release date: | 2006-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Biophysical Characterization of Human myo-Inositol Oxygenase J.Biol.Chem., 283, 2008
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5JDR
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![BU of 5jdr by Molmil](/molmil-images/mine/5jdr) | Structure of PD-L1 | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Zhou, A, Wei, H. | Deposit date: | 2016-04-17 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade. Cell Discov, 3, 2017
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4RT5
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![BU of 4rt5 by Molmil](/molmil-images/mine/4rt5) | The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase protein from planctomyces limnophilus dsm 3776 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Wu, R, Bearden, J, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-13 | Release date: | 2014-12-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase protein from Planctomyces limnophilus dsm 3776 TO BE PUBLISHED
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7OWV
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4RU9
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7OWE
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![BU of 7owe by Molmil](/molmil-images/mine/7owe) | Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Grundstrom, C, Aberg-Zingmark, E, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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4TLA
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![BU of 4tla by Molmil](/molmil-images/mine/4tla) | Crystal structure of N-terminal C1 domain of KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ... | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | Deposit date: | 2014-05-29 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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5JDS
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7OXL
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![BU of 7oxl by Molmil](/molmil-images/mine/7oxl) | Crystal structure of human Spermine Oxidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S. | Deposit date: | 2021-06-22 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7MHN
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![BU of 7mhn by Molmil](/molmil-images/mine/7mhn) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1908 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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8QEV
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![BU of 8qev by Molmil](/molmil-images/mine/8qev) | Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with carbamoyl phosphate | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ornithine transcarbamylase, ... | Authors: | Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B. | Deposit date: | 2023-09-01 | Release date: | 2023-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae . Front Plant Sci, 14, 2023
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7OWL
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![BU of 7owl by Molmil](/molmil-images/mine/7owl) | Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | Descriptor: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OY0
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![BU of 7oy0 by Molmil](/molmil-images/mine/7oy0) | Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | Descriptor: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7OWK
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![BU of 7owk by Molmil](/molmil-images/mine/7owk) | Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | Descriptor: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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4GRJ
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4TND
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![BU of 4tnd by Molmil](/molmil-images/mine/4tnd) | |