6H8S
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8TBG
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![BU of 8tbg by Molmil](/molmil-images/mine/8tbg) | Tricomplex of RMC-7977, HRAS WT, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | Authors: | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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6R7S
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![BU of 6r7s by Molmil](/molmil-images/mine/6r7s) | Human Serum Albumin, complexed with Sulfasalazine | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2019-03-29 | Release date: | 2020-04-08 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Resolving Binding Events on the Multifunctional Human Serum Albumin. Chemmedchem, 15, 2020
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8BJD
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![BU of 8bjd by Molmil](/molmil-images/mine/8bjd) | Full length structure of LpMIP with bound inhibitor JK095 | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2022-11-04 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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5WKL
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![BU of 5wkl by Molmil](/molmil-images/mine/5wkl) | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | Descriptor: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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6H83
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![BU of 6h83 by Molmil](/molmil-images/mine/6h83) | MamM CTD D249H - Copper form | Descriptor: | BETA-MERCAPTOETHANOL, COPPER (II) ION, Magnetosome protein MamM, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-01 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | MamM CTD D249H - Copper form To Be Published
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6H85
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7R5Y
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8TBJ
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![BU of 8tbj by Molmil](/molmil-images/mine/8tbj) | Tricomplex of RMC-7977, KRAS G12A, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8BK4
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![BU of 8bk4 by Molmil](/molmil-images/mine/8bk4) | Full length structure of the apo-state LpMIP. | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ... | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2022-11-08 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8T9W
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6H89
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![BU of 6h89 by Molmil](/molmil-images/mine/6h89) | MamM CTD D249N - Copper form | Descriptor: | BETA-MERCAPTOETHANOL, COPPER (II) ION, Magnetosome protein MamM, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | MamM CTD D249N - Copper form To Be Published
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6H0F
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![BU of 6h0f by Molmil](/molmil-images/mine/6h0f) | Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2) | Descriptor: | DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ... | Authors: | Petzold, G, Bunker, R.D, Thoma, N.H. | Deposit date: | 2018-07-09 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN. Science, 362, 2018
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8BK5
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![BU of 8bk5 by Molmil](/molmil-images/mine/8bk5) | A structure of the truncated LpMIP with bound inhibitor JK095. | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2022-11-08 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8BN0
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![BU of 8bn0 by Molmil](/molmil-images/mine/8bn0) | Bacteroides thetaiotaomicron surface protein BT1954 bound to | Descriptor: | CHLORIDE ION, COB(II)INAMIDE, CYANIDE ION, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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8TOQ
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![BU of 8toq by Molmil](/molmil-images/mine/8toq) | ACE2-peptide 1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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6H2T
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![BU of 6h2t by Molmil](/molmil-images/mine/6h2t) | GlnH bound to Glu, Mycobacterium tuberculosis | Descriptor: | GLUTAMIC ACID, Probable glutamine-binding lipoprotein GlnH (GLNBP) | Authors: | O'Hare, H.M, Wallis, R, Lin, L.Y, Newland-Smith, Z. | Deposit date: | 2018-07-16 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria. MBio, 9, 2018
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7LDG
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![BU of 7ldg by Molmil](/molmil-images/mine/7ldg) | Crystal structure of the MEILB2-BRCA2 complex | Descriptor: | Breast cancer type 2 susceptibility protein, Heat shock factor 2-binding protein | Authors: | Nandakumar, J, Pendlebury, D.F. | Deposit date: | 2021-01-13 | Release date: | 2021-08-11 | Last modified: | 2021-08-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure of a meiosis-specific complex central to BRCA2 localization at recombination sites. Nat.Struct.Mol.Biol., 28, 2021
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6ZQP
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![BU of 6zqp by Molmil](/molmil-images/mine/6zqp) | Structure of the Pmt2-MIR domain with bound ligands | Descriptor: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | Deposit date: | 2020-07-10 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
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8TBH
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![BU of 8tbh by Molmil](/molmil-images/mine/8tbh) | Tricomplex of RMC-7977, KRAS G12R, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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6DQT
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![BU of 6dqt by Molmil](/molmil-images/mine/6dqt) | Crystal structure of Haemophilus influenzae OppA complex with LGG | Descriptor: | ACETATE ION, LEU-GLY-GLY, Periplasmic oligopeptide-binding protein, ... | Authors: | Tanaka, K.J, Pinkett, H.W. | Deposit date: | 2018-06-11 | Release date: | 2018-11-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket. J. Biol. Chem., 294, 2019
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6ZQS
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![BU of 6zqs by Molmil](/molmil-images/mine/6zqs) | Crystal structure of double-phosphorylated p38alpha with ATF2(83-102) | Descriptor: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14 | Authors: | Kirsch, K, Sok, P, Poti, A.L, Remenyi, A. | Deposit date: | 2020-07-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun, 11, 2020
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8TOS
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![BU of 8tos by Molmil](/molmil-images/mine/8tos) | ACE2-peptide 6 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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7R1K
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![BU of 7r1k by Molmil](/molmil-images/mine/7r1k) | Phosphorylated Bacillus pumilus Lipase A | Descriptor: | DIETHYL PHOSPHONATE, Lipase, OXALOACETATE ION | Authors: | Lund, B.A. | Deposit date: | 2022-02-03 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Mechanism of a Cold-Adapted Bacterial Lipase Biochemistry, 61, 2022
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5FF8
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![BU of 5ff8 by Molmil](/molmil-images/mine/5ff8) | TDG enzyme-product complex | Descriptor: | DNA, G/T mismatch-specific thymine DNA glycosylase | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-12-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues. Nucleic Acids Res., 44, 2016
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