6V3W
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![BU of 6v3w by Molmil](/molmil-images/mine/6v3w) | Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397 | Descriptor: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12 | Authors: | Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity. Cancer Cell, 39, 2021
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5PGX
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5PGY
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![BU of 5pgy by Molmil](/molmil-images/mine/5pgy) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | Descriptor: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2017-02-06 | Release date: | 2017-11-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017
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5NV3
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![BU of 5nv3 by Molmil](/molmil-images/mine/5nv3) | Structure of Rubisco from Rhodobacter sphaeroides in complex with CABP | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | Authors: | Bracher, A, Milicic, G, Ciniawsky, S, Wendler, P, Hayer-Hartl, M, Hartl, F.U. | Deposit date: | 2017-05-03 | Release date: | 2017-07-26 | Last modified: | 2017-09-20 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Mechanism of Enzyme Repair by the AAA(+) Chaperone Rubisco Activase. Mol. Cell, 67, 2017
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5QII
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![BU of 5qii by Molmil](/molmil-images/mine/5qii) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2018-07-03 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 9, 2018
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5PGZ
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![BU of 5pgz by Molmil](/molmil-images/mine/5pgz) | CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | Descriptor: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Sheriff, S. | Deposit date: | 2017-02-06 | Release date: | 2017-11-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017
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5NI3
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![BU of 5ni3 by Molmil](/molmil-images/mine/5ni3) | sfGFP 204-204 mutant dimer | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein, ... | Authors: | Worthy, H.L, Rizkallah, P.J. | Deposit date: | 2017-03-23 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Association of Fluorescent Protein Pairs and Its Significant Impact on Fluorescence and Energy Transfer Adv Sci, 2020
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5OXR
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5QIJ
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![BU of 5qij by Molmil](/molmil-images/mine/5qij) | CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Sheriff, S. | Deposit date: | 2018-07-03 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 9, 2018
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5OR9
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![BU of 5or9 by Molmil](/molmil-images/mine/5or9) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13 | Descriptor: | (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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7SG5
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![BU of 7sg5 by Molmil](/molmil-images/mine/7sg5) | Structure of PfCSP peptide 21 with antibody CIS43_Var2 | Descriptor: | CIS43_Var2 Fab Heavy chain, CIS43_Var2 Fab Light chain, GLYCEROL, ... | Authors: | Tripathi, P, Kwong, P.D. | Deposit date: | 2021-10-05 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Highly protective antimalarial antibodies via precision library generation and yeast display screening. J.Exp.Med., 219, 2022
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7SG6
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![BU of 7sg6 by Molmil](/molmil-images/mine/7sg6) | Structure of PfCSP peptide 21 with antibody CIS43_Var10 | Descriptor: | CIS43_Var10 Fab Heavy chain, CIS43_Var10 Fab Light chain, GLYCEROL, ... | Authors: | Tripathi, P, Kwong, P.D. | Deposit date: | 2021-10-05 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Highly protective antimalarial antibodies via precision library generation and yeast display screening. J.Exp.Med., 219, 2022
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7YUK
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![BU of 7yuk by Molmil](/molmil-images/mine/7yuk) | Complex structure of BANP BEN domain bound to DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUG
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![BU of 7yug by Molmil](/molmil-images/mine/7yug) | Structure of human BANP BEN domain | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUL
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![BU of 7yul by Molmil](/molmil-images/mine/7yul) | Crystal structure of human BEND6 BEN domain in complex with DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUN
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![BU of 7yun by Molmil](/molmil-images/mine/7yun) | Crystal structure of human BEND6 BEN domain in complex with methylated DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3') | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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1EAU
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![BU of 1eau by Molmil](/molmil-images/mine/1eau) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | Authors: | Ceccarelli, C. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone. J.Med.Chem., 38, 1995
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6MTO
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![BU of 6mto by Molmil](/molmil-images/mine/6mto) | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTR
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![BU of 6mtr by Molmil](/molmil-images/mine/6mtr) | Crystal structure of VRC43.01 Fab | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MSL
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![BU of 6msl by Molmil](/molmil-images/mine/6msl) | Integrin AlphaVBeta3 ectodomain bound to EETI-II 2.5D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine Knot Protein 2.5D, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-16 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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6MTS
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![BU of 6mts by Molmil](/molmil-images/mine/6mts) | Crystal structure of VRC43.03 Fab | Descriptor: | Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MSU
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![BU of 6msu by Molmil](/molmil-images/mine/6msu) | Integrin alphaVBeta3 in complex with EETI-II 2.5F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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6MTT
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![BU of 6mtt by Molmil](/molmil-images/mine/6mtt) | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | Descriptor: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTQ
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![BU of 6mtq by Molmil](/molmil-images/mine/6mtq) | Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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7TI6
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![BU of 7ti6 by Molmil](/molmil-images/mine/7ti6) | |