6PYD
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![BU of 6pyd by Molmil](/molmil-images/mine/6pyd) | Structure of 3E9 antibody Fab bound to marinobufagenin | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VBK
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![BU of 6vbk by Molmil](/molmil-images/mine/6vbk) | Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease | Descriptor: | GLYCEROL, Lon211 | Authors: | Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex. Protein Sci., 28, 2019
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6IHG
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![BU of 6ihg by Molmil](/molmil-images/mine/6ihg) | N terminal domain of Mycobacterium avium complex Lon protease | Descriptor: | Lon protease | Authors: | Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H. | Deposit date: | 2018-09-29 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex. Protein Sci., 28, 2019
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6PYC
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![BU of 6pyc by Molmil](/molmil-images/mine/6pyc) | Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ... | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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6E40
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![BU of 6e40 by Molmil](/molmil-images/mine/6e40) | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E42
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![BU of 6e42 by Molmil](/molmil-images/mine/6e42) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole | Descriptor: | 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ... | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E41
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![BU of 6e41 by Molmil](/molmil-images/mine/6e41) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E43
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![BU of 6e43 by Molmil](/molmil-images/mine/6e43) | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog | Descriptor: | (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, BENZOIC ACID, Indoleamine 2,3-dioxygenase 1 | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E45
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![BU of 6e45 by Molmil](/molmil-images/mine/6e45) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state | Descriptor: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ... | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E44
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![BU of 6e44 by Molmil](/molmil-images/mine/6e44) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state | Descriptor: | Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E46
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![BU of 6e46 by Molmil](/molmil-images/mine/6e46) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and tryptophan | Descriptor: | Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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8E4Y
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![BU of 8e4y by Molmil](/molmil-images/mine/8e4y) | Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ... | Authors: | Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
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8E50
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![BU of 8e50 by Molmil](/molmil-images/mine/8e50) | Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ... | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
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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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2L5P
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![BU of 2l5p by Molmil](/molmil-images/mine/2l5p) | |
4L2Y
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![BU of 4l2y by Molmil](/molmil-images/mine/4l2y) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | Descriptor: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-05 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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4L1B
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![BU of 4l1b by Molmil](/molmil-images/mine/4l1b) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-03 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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4L23
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![BU of 4l23 by Molmil](/molmil-images/mine/4l23) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-04 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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5IE8
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![BU of 5ie8 by Molmil](/molmil-images/mine/5ie8) | |
8J7S
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![BU of 8j7s by Molmil](/molmil-images/mine/8j7s) | Structure of the SPARTA complex | Descriptor: | DNA (5'-D(P*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*CP*AP*AP*TP*AP*GP*A)-3'), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*A)-3'), ... | Authors: | Guo, M, Zhu, Y, Lin, Z, Huang, Z. | Deposit date: | 2023-04-28 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of the ssDNA-activated SPARTA complex. Cell Res., 33, 2023
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3JYJ
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![BU of 3jyj by Molmil](/molmil-images/mine/3jyj) | Structure-Based Design of Novel PIN1 Inhibitors (II) | Descriptor: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2009-09-21 | Release date: | 2010-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (II). Bioorg.Med.Chem.Lett., 20, 2010
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3I6C
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![BU of 3i6c by Molmil](/molmil-images/mine/3i6c) | Structure-Based Design of Novel PIN1 Inhibitors (II) | Descriptor: | 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2009-07-06 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (II). Bioorg.Med.Chem.Lett., 20, 2010
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8IL3
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![BU of 8il3 by Molmil](/molmil-images/mine/8il3) | Cryo-EM structure of CD38 in complex with FTL004 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | Authors: | Yang, J, Wang, Y, Zhang, G. | Deposit date: | 2023-03-01 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma. J Hematol Oncol, 15, 2022
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8WW2
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![BU of 8ww2 by Molmil](/molmil-images/mine/8ww2) | GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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5X8H
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![BU of 5x8h by Molmil](/molmil-images/mine/5x8h) | Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 | Descriptor: | Short-chain dehydrogenase reductase | Authors: | Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L. | Deposit date: | 2017-03-02 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope Appl. Microbiol. Biotechnol., 101, 2017
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