6R0P
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![BU of 6r0p by Molmil](/molmil-images/mine/6r0p) | Getah virus macro domain in complex with ADPr in double open conformation | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | Deposit date: | 2019-03-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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6D71
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![BU of 6d71 by Molmil](/molmil-images/mine/6d71) | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2018-04-23 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7180779 Å) | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase. J.Struct.Biol., 212, 2020
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7PG8
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![BU of 7pg8 by Molmil](/molmil-images/mine/7pg8) | NaV_Ae1/Sp1CTD_pore-ANT05 complex | Descriptor: | ANT05 H12 fab fragment, heavy chain, light chain, ... | Authors: | Lolicato, M, Arrigoni, C. | Deposit date: | 2021-08-13 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat.Struct.Mol.Biol., 29, 2022
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6R0F
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![BU of 6r0f by Molmil](/molmil-images/mine/6r0f) | Getah virus macro domain in complex with ADPr, pose 1 | Descriptor: | Non-structural polyprotein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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6KGM
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![BU of 6kgm by Molmil](/molmil-images/mine/6kgm) | LSD1-CoREST-S2116 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6GIE
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![BU of 6gie by Molmil](/molmil-images/mine/6gie) | Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 33-36 kDa outer membrane protein | Authors: | Abellon-Ruiz, J, Zahn, M, Basle, A, van den Berg, B. | Deposit date: | 2018-05-10 | Release date: | 2018-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33. Acta Crystallogr D Struct Biol, 74, 2018
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7K40
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![BU of 7k40 by Molmil](/molmil-images/mine/7k40) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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6R0L
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![BU of 6r0l by Molmil](/molmil-images/mine/6r0l) | |
8BIX
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![BU of 8bix by Molmil](/molmil-images/mine/8bix) | Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii in complex with cystathionine | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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6GJK
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![BU of 6gjk by Molmil](/molmil-images/mine/6gjk) | A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | Descriptor: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J. | Deposit date: | 2018-05-16 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine. Biochim Biophys Acta Gen Subj, 1863, 2019
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5W46
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![BU of 5w46 by Molmil](/molmil-images/mine/5w46) | |
6GIM
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![BU of 6gim by Molmil](/molmil-images/mine/6gim) | Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18) | Descriptor: | DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium | Authors: | Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L. | Deposit date: | 2018-05-14 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast. Nucleic Acids Res., 45, 2017
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7PZH
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![BU of 7pzh by Molmil](/molmil-images/mine/7pzh) | |
5VQ3
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![BU of 5vq3 by Molmil](/molmil-images/mine/5vq3) | Nitrogenase Cp1 at pH 6.5 | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | Deposit date: | 2017-05-07 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site. J. Am. Chem. Soc., 139, 2017
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6R0M
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![BU of 6r0m by Molmil](/molmil-images/mine/6r0m) | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | Descriptor: | NF-YB2, NF-YC3 | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | Deposit date: | 2019-03-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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7JZT
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![BU of 7jzt by Molmil](/molmil-images/mine/7jzt) | |
8BJ8
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![BU of 8bj8 by Molmil](/molmil-images/mine/8bj8) | |
6R0T
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![BU of 6r0t by Molmil](/molmil-images/mine/6r0t) | Getah virus macro domain in complex with ADPr in open conformation | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | Deposit date: | 2019-03-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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8THM
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![BU of 8thm by Molmil](/molmil-images/mine/8thm) | |
7K4P
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![BU of 7k4p by Molmil](/molmil-images/mine/7k4p) | Crystal structure of Kemp Eliminase HG3 | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7PZG
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![BU of 7pzg by Molmil](/molmil-images/mine/7pzg) | Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Lysophospholipase L1, MAGNESIUM ION, ... | Authors: | Scott, H, Armstrong, Z, Davies, G.J. | Deposit date: | 2021-10-12 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | The structure of Phocaeicola vulgatus sialic acid acetylesterase. Acta Crystallogr D Struct Biol, 78, 2022
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6Z2H
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8T8Q
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![BU of 8t8q by Molmil](/molmil-images/mine/8t8q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-23 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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6R0H
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![BU of 6r0h by Molmil](/molmil-images/mine/6r0h) | Glycogen Phosphorylase b in complex with 3 | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-10 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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6GJ9
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![BU of 6gj9 by Molmil](/molmil-images/mine/6gj9) | |