2JLS
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![BU of 2jls by Molmil](/molmil-images/mine/2jls) | Dengue virus 4 NS3 helicase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2008-09-15 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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6IXJ
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![BU of 6ixj by Molmil](/molmil-images/mine/6ixj) | The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca | Descriptor: | 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2018-12-10 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca. Biochem. J., 476, 2019
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6JKP
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![BU of 6jkp by Molmil](/molmil-images/mine/6jkp) | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense in complex with NAD+ | Descriptor: | Methanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.008 Å) | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense. Biosci.Rep., 39, 2019
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6JKO
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![BU of 6jko by Molmil](/molmil-images/mine/6jko) | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense | Descriptor: | Methanol dehydrogenase, ZINC ION | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense. Biosci.Rep., 39, 2019
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7WNH
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![BU of 7wnh by Molmil](/molmil-images/mine/7wnh) | Crystal structure of Nurr1 binding to NBRE | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), Nuclear receptor subfamily 4 group A member 2, ... | Authors: | Zhao, M, Xu, T, Wang, N, Guo, Y, Liu, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Integrative analysis reveals structural basis for transcription activation of Nurr1 and Nurr1-RXR alpha heterodimer. Proc.Natl.Acad.Sci.USA, 119, 2022
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7FBJ
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![BU of 7fbj by Molmil](/molmil-images/mine/7fbj) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ... | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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7FBK
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![BU of 7fbk by Molmil](/molmil-images/mine/7fbk) | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1 | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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7FI6
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![BU of 7fi6 by Molmil](/molmil-images/mine/7fi6) | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | Descriptor: | MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | Deposit date: | 2021-07-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D to be published
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7FI7
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![BU of 7fi7 by Molmil](/molmil-images/mine/7fi7) | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | Descriptor: | MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | Deposit date: | 2021-07-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D to be published
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7FI8
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![BU of 7fi8 by Molmil](/molmil-images/mine/7fi8) | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | Descriptor: | MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | Deposit date: | 2021-07-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D to be published
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7FI9
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![BU of 7fi9 by Molmil](/molmil-images/mine/7fi9) | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | Descriptor: | GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | Deposit date: | 2021-07-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D to be published
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7FI5
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![BU of 7fi5 by Molmil](/molmil-images/mine/7fi5) | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | Descriptor: | GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | Deposit date: | 2021-07-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D to be published
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8HQU
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![BU of 8hqu by Molmil](/molmil-images/mine/8hqu) | |
6E1A
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![BU of 6e1a by Molmil](/molmil-images/mine/6e1a) | Menin bound to M-89 | Descriptor: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2018-07-09 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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5XE1
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![BU of 5xe1 by Molmil](/molmil-images/mine/5xe1) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | Descriptor: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, J, Wu, U, Liu, J. | Deposit date: | 2017-03-31 | Release date: | 2017-05-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943 Biochem. Biophys. Res. Commun., 487, 2017
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5XDZ
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![BU of 5xdz by Molmil](/molmil-images/mine/5xdz) | Crystal structure of zebrafish SNX25 PX domain | Descriptor: | CHLORIDE ION, Cellular trafficking protein, SODIUM ION | Authors: | Su, K, Zhang, Y, Xu, J, Liu, J. | Deposit date: | 2017-03-30 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain FEBS Lett., 591, 2017
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6XY2
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![BU of 6xy2 by Molmil](/molmil-images/mine/6xy2) | Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ... | Authors: | Gao, H, Zhou, A. | Deposit date: | 2020-01-29 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody. Cell Discov, 6, 2020
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7M74
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![BU of 7m74 by Molmil](/molmil-images/mine/7m74) | ATP-bound AMP-activated protein kinase | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2021-03-26 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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5JDS
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![BU of 5jds by Molmil](/molmil-images/mine/5jds) | |
5JDR
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![BU of 5jdr by Molmil](/molmil-images/mine/5jdr) | Structure of PD-L1 | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Zhou, A, Wei, H. | Deposit date: | 2016-04-17 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade. Cell Discov, 3, 2017
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5UF7
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![BU of 5uf7 by Molmil](/molmil-images/mine/5uf7) | CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN | Descriptor: | Protein unc-13 homolog A | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2017-01-03 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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5UE8
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![BU of 5ue8 by Molmil](/molmil-images/mine/5ue8) | The crystal structure of Munc13-1 C1C2BMUN domain | Descriptor: | CHLORIDE ION, Protein unc-13 homolog A, ZINC ION | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2016-12-29 | Release date: | 2017-02-15 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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6WNH
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![BU of 6wnh by Molmil](/molmil-images/mine/6wnh) | Menin bound to inhibitor M-808 | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity. J.Med.Chem., 63, 2020
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7V3Z
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![BU of 7v3z by Molmil](/molmil-images/mine/7v3z) | Structure of cannabinoid receptor type 1(CB1) | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | Deposit date: | 2021-08-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1. J.Am.Chem.Soc., 143, 2021
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6GWR
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![BU of 6gwr by Molmil](/molmil-images/mine/6gwr) | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2. J. Med. Chem., 61, 2018
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