7SIU
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![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
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6VKV
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8XKF
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![BU of 8xkf by Molmil](/molmil-images/mine/8xkf) | Crystal structure of Helicobacter pylori IspDF with substrate CTP | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | Authors: | Chen, X, Wu, D. | Deposit date: | 2023-12-23 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes. Int J Antimicrob Agents, 63, 2024
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5XS5
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![BU of 5xs5 by Molmil](/molmil-images/mine/5xs5) | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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5XS7
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![BU of 5xs7 by Molmil](/molmil-images/mine/5xs7) | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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5XS4
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![BU of 5xs4 by Molmil](/molmil-images/mine/5xs4) | Structure of Coxsackievirus A6 (CVA6) virus A-particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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4YH3
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![BU of 4yh3 by Molmil](/molmil-images/mine/4yh3) | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | Deposit date: | 2015-02-26 | Release date: | 2016-01-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
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4YH4
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![BU of 4yh4 by Molmil](/molmil-images/mine/4yh4) | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2015-02-26 | Release date: | 2016-01-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
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3HWP
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![BU of 3hwp by Molmil](/molmil-images/mine/3hwp) | Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PhlG, ... | Authors: | He, Y.-X, Huang, L, Xue, Y, Fei, X, Teng, Y.-B, Zhou, C.-Z. | Deposit date: | 2009-06-18 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens. J.Biol.Chem., 285, 2010
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4AME
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![BU of 4ame by Molmil](/molmil-images/mine/4ame) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18A | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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3M6I
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![BU of 3m6i by Molmil](/molmil-images/mine/3m6i) | L-arabinitol 4-dehydrogenase | Descriptor: | L-arabinitol 4-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Bae, B, Nair, S.K. | Deposit date: | 2010-03-15 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and engineering of L-arabinitol 4-dehydrogenase from Neurospora crassa J.Mol.Biol., 402, 2010
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5IVX
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![BU of 5ivx by Molmil](/molmil-images/mine/5ivx) | Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Natarajan, K, Jiang, J, Margulies, D. | Deposit date: | 2016-03-21 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An allosteric site in the T-cell receptor C beta domain plays a critical signalling role. Nat Commun, 8, 2017
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5IW1
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3OHI
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![BU of 3ohi by Molmil](/molmil-images/mine/3ohi) | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | Authors: | Herzberg, O, Galkin, A. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase. J.Inorg.Biochem., 105, 2010
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7JI3
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3EWH
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![BU of 3ewh by Molmil](/molmil-images/mine/3ewh) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-10-15 | Release date: | 2009-08-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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1MSJ
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![BU of 1msj by Molmil](/molmil-images/mine/1msj) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T15V | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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7K9K
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7K9H
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![BU of 7k9h by Molmil](/molmil-images/mine/7k9h) | SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, ... | Authors: | Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD. Cell Rep, 37, 2021
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7K9I
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7K9J
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6AME
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![BU of 6ame by Molmil](/molmil-images/mine/6ame) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 M21A | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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1B7J
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![BU of 1b7j by Molmil](/molmil-images/mine/1b7j) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 V20A | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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7JUO
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![BU of 7juo by Molmil](/molmil-images/mine/7juo) | CBP bromodomain complexed with YF2-23 | Descriptor: | CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G. | Deposit date: | 2020-08-20 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GU0
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![BU of 8gu0 by Molmil](/molmil-images/mine/8gu0) | Crystal structure of a fungal halogenase RadH | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Non-heme halogenase radH, ... | Authors: | Jiang, S.M, Brown, C.J. | Deposit date: | 2022-09-09 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Further Characterization of Fungal Halogenase RadH and Its Homologs. Biomolecules, 13, 2023
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