7MWZ
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6XUN
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![BU of 6xun by Molmil](/molmil-images/mine/6xun) | Ab 5b1 bound to CA19-9 | Descriptor: | GLYCEROL, Heavy chain, Light chain, ... | Authors: | Diskin, R, Borenstein-Katz, A. | Deposit date: | 2020-01-20 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies. J.Mol.Biol., 433, 2021
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5INW
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![BU of 5inw by Molmil](/molmil-images/mine/5inw) | Structure of reaction loop cleaved lamprey angiotensinogen | Descriptor: | C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION | Authors: | Wei, H, Zhou, A. | Deposit date: | 2016-03-08 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism J.Biol.Chem., 291, 2016
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5XL0
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![BU of 5xl0 by Molmil](/molmil-images/mine/5xl0) | met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | Deposit date: | 2017-05-10 | Release date: | 2017-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor Biochemistry, 56, 2017
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7N44
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![BU of 7n44 by Molmil](/molmil-images/mine/7n44) | Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13) | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-06-03 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. Acs Med.Chem.Lett., 12, 2021
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6OEA
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![BU of 6oea by Molmil](/molmil-images/mine/6oea) | Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-27 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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6OQ3
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5II1
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![BU of 5ii1 by Molmil](/molmil-images/mine/5ii1) | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one | Descriptor: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-01 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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5IJT
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1KJM
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![BU of 1kjm by Molmil](/molmil-images/mine/1kjm) | TAP-A-associated rat MHC class I molecule | Descriptor: | B6 Peptide, RT1 class I histocompatibility antigen, AA alpha chain, ... | Authors: | Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A. | Deposit date: | 2001-12-04 | Release date: | 2002-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially
with peptide transporter alleles TAP-A and TAP-B. J.Mol.Biol., 324, 2002
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5IQB
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![BU of 5iqb by Molmil](/molmil-images/mine/5iqb) | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Kanamycin A | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, KANAMYCIN A, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2016-03-10 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia. Structure, 24, 2016
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5XF3
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![BU of 5xf3 by Molmil](/molmil-images/mine/5xf3) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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7N0U
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![BU of 7n0u by Molmil](/molmil-images/mine/7n0u) | Complex of recombinant Bet v 1 with Fab fragment of REGN5713 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, REGN5713 Fab fragment heavy chain, REGN5713 Fab fragment light chain, ... | Authors: | Franklin, M.C, Romero Hernandez, A. | Deposit date: | 2021-05-26 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response. J.Allergy Clin.Immunol., 149, 2022
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6OWO
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![BU of 6owo by Molmil](/molmil-images/mine/6owo) | CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 CORE BOUND TO NECAP | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Partlow, E.A, Baker, R.W, Beacham, G.M, Chappie, J.S, Leschziner, A.E, Hollopeter, G. | Deposit date: | 2019-05-10 | Release date: | 2019-09-11 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A structural mechanism for phosphorylation-dependent inactivation of the AP2 complex. Elife, 8, 2019
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5IQS
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![BU of 5iqs by Molmil](/molmil-images/mine/5iqs) | WelO5 bound to Fe(II), Cl, and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ... | Authors: | Mitchell, A.J, Ananth, N, Boal, A.K. | Deposit date: | 2016-03-11 | Release date: | 2016-06-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5. Nat.Chem.Biol., 12, 2016
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6OR4
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![BU of 6or4 by Molmil](/molmil-images/mine/6or4) | Crystal structure of SpGH29 | Descriptor: | Glycoside hydrolase, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-04-29 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens. J.Biol.Chem., 294, 2019
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6O7P
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![BU of 6o7p by Molmil](/molmil-images/mine/6o7p) | Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Rutledge, H.L, Williamson, L.M, Tezcan, F.A. | Deposit date: | 2019-03-08 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
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8CEF
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![BU of 8cef by Molmil](/molmil-images/mine/8cef) | Asymmetric Dimerization in a Transcription Factor Superfamily is Promoted by Allosteric Interactions with DNA | Descriptor: | DNA (26-MER), Nuclear receptor DNA binding domain, ZINC ION | Authors: | Patel, A.K.M, Shaik, T.B, McEwen, A.G, Moras, D, Klaholz, B.P, Billas, I.M.L. | Deposit date: | 2023-02-01 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Asymmetric dimerization in a transcription factor superfamily is promoted by allosteric interactions with DNA. Nucleic Acids Res., 51, 2023
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2P7F
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![BU of 2p7f by Molmil](/molmil-images/mine/2p7f) | The Novel Use of a 2',5'-Phosphodiester Linkage as a Reaction Intermediate at the Active Site of a Small Ribozyme | Descriptor: | COBALT HEXAMMINE(III), Loop A ribozyme strand, Loop B S-turn strand, ... | Authors: | Torelli, A.T, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-03-20 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization Rna, 13, 2007
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1KMS
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![BU of 1kms by Molmil](/molmil-images/mine/1kms) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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5ISO
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![BU of 5iso by Molmil](/molmil-images/mine/5iso) | STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991) | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Xiao, B, Hubbard, J.A, Gamblin, S.J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991) To Be Published
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5XF5
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![BU of 5xf5 by Molmil](/molmil-images/mine/5xf5) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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1KSP
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![BU of 1ksp by Molmil](/molmil-images/mine/1ksp) | DNA polymerase I Klenow fragment (E.C.2.7.7.7) mutant/DNA complex | Descriptor: | DNA (5'-D(P*TP*TP*PST)-3'), PROTEIN (DNA POLYMERASE I-KLENOW FRAGMENT (E.C.2.7.7.7)), ZINC ION | Authors: | Brautigam, C.A, Steitz, T.A. | Deposit date: | 1997-08-19 | Release date: | 1998-02-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural principles for the inhibition of the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I by phosphorothioates. J.Mol.Biol., 277, 1998
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5IWO
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![BU of 5iwo by Molmil](/molmil-images/mine/5iwo) | Bacterial sodium channel pore domain, low bromide | Descriptor: | BROMIDE ION, Ion transport protein | Authors: | Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L. | Deposit date: | 2016-03-22 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation. Cell, 164, 2016
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1KR3
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![BU of 1kr3 by Molmil](/molmil-images/mine/1kr3) | Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | Authors: | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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