8FB2
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![BU of 8fb2 by Molmil](/molmil-images/mine/8fb2) | HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET | Descriptor: | (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | Vajdos, F.F. | Deposit date: | 2022-11-29 | Release date: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14, 2023
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8FB0
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![BU of 8fb0 by Molmil](/molmil-images/mine/8fb0) | H64Q Myoglobin in complex with acetamide | Descriptor: | ACETAMIDE, GLYCEROL, Myoglobin, ... | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2022-11-29 | Release date: | 2023-06-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Interactions of metronidazole and chloramphenicol with myoglobin: Crystal structure of a Mb-acetamide product. J Porphyr Phthalocyanines, 27, 2023
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8FAX
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![BU of 8fax by Molmil](/molmil-images/mine/8fax) | Fab 1249A8-MERS Stem Helix Complex | Descriptor: | 1249A8-HC, 1249A8-LC, CHLORIDE ION, ... | Authors: | Deshpande, A, Schormann, N, Piepenbrink, M.S, Martinez-Sobrido, L, Kobie, J.J, Walter, M.R. | Deposit date: | 2022-11-28 | Release date: | 2023-05-03 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of beta coronaviruses. Febs J., 290, 2023
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8FA7
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![BU of 8fa7 by Molmil](/molmil-images/mine/8fa7) | |
8FA0
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![BU of 8fa0 by Molmil](/molmil-images/mine/8fa0) | |
8F9Z
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![BU of 8f9z by Molmil](/molmil-images/mine/8f9z) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist | Descriptor: | (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2022-11-25 | Release date: | 2023-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists. Int J Mol Sci, 23, 2022
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8F9X
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![BU of 8f9x by Molmil](/molmil-images/mine/8f9x) | Cyclase-PTE | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Ji, D, Frkic, R.L, Jackson, C.J. | Deposit date: | 2022-11-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Cyclase-PTE To Be Published
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8F9V
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![BU of 8f9v by Molmil](/molmil-images/mine/8f9v) | Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein KQPA peptide | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.8 Antibody, ... | Authors: | Thai, E, Prieto, K, Julien, J.P. | Deposit date: | 2022-11-24 | Release date: | 2023-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep, 42, 2023
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8F9Q
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![BU of 8f9q by Molmil](/molmil-images/mine/8f9q) | Guinea pig sialic acid esterase (SIAE) | Descriptor: | Sialic acid acetylesterase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Guinea pig sialic acid esterase (SIAE) To Be Published
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8F9N
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![BU of 8f9n by Molmil](/molmil-images/mine/8f9n) | H64A swMb-iPrNO adduct | Descriptor: | 2-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-24 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F9J
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![BU of 8f9j by Molmil](/molmil-images/mine/8f9j) | H64A swMb-PrNO adduct | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F97
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![BU of 8f97 by Molmil](/molmil-images/mine/8f97) | Compound 5 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F94
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![BU of 8f94 by Molmil](/molmil-images/mine/8f94) | |
8F93
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![BU of 8f93 by Molmil](/molmil-images/mine/8f93) | WDR5 covalently modified at Y228 by (R)-2-SF | Descriptor: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... | Authors: | Taunton, J, Craven, G.B, Chen, Y. | Deposit date: | 2022-11-23 | Release date: | 2023-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
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8F91
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![BU of 8f91 by Molmil](/molmil-images/mine/8f91) | |
8F8Z
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![BU of 8f8z by Molmil](/molmil-images/mine/8f8z) | |
8F8Y
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![BU of 8f8y by Molmil](/molmil-images/mine/8f8y) | PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2022-11-22 | Release date: | 2023-01-18 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2. J.Biol.Chem., 299, 2022
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8F8V
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![BU of 8f8v by Molmil](/molmil-images/mine/8f8v) | Crystal structure of Nb.X0 | Descriptor: | Nb.X0 | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Andi, B. | Deposit date: | 2022-11-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat Commun, 14, 2023
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8F8O
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![BU of 8f8o by Molmil](/molmil-images/mine/8f8o) | Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-11-22 | Release date: | 2022-11-30 | Last modified: | 2023-02-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids To Be Published
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8F8L
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![BU of 8f8l by Molmil](/molmil-images/mine/8f8l) | The structure of Rv2173 from M. tuberculosis with DMAP bound | Descriptor: | (2E,6E)-farnesyl diphosphate synthase, CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, ... | Authors: | Johnston, J.M, Allison, T.M, Titterington, J. | Deposit date: | 2022-11-22 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published
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8F8K
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![BU of 8f8k by Molmil](/molmil-images/mine/8f8k) | The structure of Rv2173 from M. tuberculosis with IPP bound | Descriptor: | (2E,6E)-farnesyl diphosphate synthase, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, ... | Authors: | Johnston, J.M, Allison, T.M, Titterington, J, Beasley, C.P.H. | Deposit date: | 2022-11-22 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published
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8F8F
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![BU of 8f8f by Molmil](/molmil-images/mine/8f8f) | The structure of Rv2173 from M. tuberculosis (APO form) | Descriptor: | (2E,6E)-farnesyl diphosphate synthase, GLYCEROL, MAGNESIUM ION | Authors: | Johnston, J.M, Allison, T.M, Titterington, J. | Deposit date: | 2022-11-22 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published
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8F88
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![BU of 8f88 by Molmil](/molmil-images/mine/8f88) | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Morris, R, Kershaw, N.J, Babon, J.J. | Deposit date: | 2022-11-21 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8F87
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![BU of 8f87 by Molmil](/molmil-images/mine/8f87) | |
8F86
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![BU of 8f86 by Molmil](/molmil-images/mine/8f86) | SIRT6 bound to an H3K9Ac nucleosome | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | Deposit date: | 2022-11-21 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023
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