7DEU
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![BU of 7deu by Molmil](/molmil-images/mine/7deu) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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5J87
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2XTJ
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![BU of 2xtj by Molmil](/molmil-images/mine/2xtj) | The crystal structure of PCSK9 in complex with 1D05 Fab | Descriptor: | CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ... | Authors: | Di Marco, S, Volpari, C, Carfi, A. | Deposit date: | 2010-10-10 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo. J.Lipid Res., 52, 2011
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6WL3
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![BU of 6wl3 by Molmil](/molmil-images/mine/6wl3) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-LEU-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6WL2
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![BU of 6wl2 by Molmil](/molmil-images/mine/6wl2) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6WL4
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![BU of 6wl4 by Molmil](/molmil-images/mine/6wl4) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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1I5U
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![BU of 1i5u by Molmil](/molmil-images/mine/1i5u) | SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | Deposit date: | 2001-02-28 | Release date: | 2001-03-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c. Protein Sci., 10, 2001
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8I8Y
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![BU of 8i8y by Molmil](/molmil-images/mine/8i8y) | A mutant of the C-terminal complex of proteins 4.1G and NuMA | Descriptor: | Engineered protein | Authors: | Hu, X. | Deposit date: | 2023-02-06 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain. Proc.Natl.Acad.Sci.USA, 120, 2023
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6L4R
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![BU of 6l4r by Molmil](/molmil-images/mine/6l4r) | Crystal structure of Enterovirus D68 RdRp | Descriptor: | RdRp | Authors: | Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D. | Deposit date: | 2019-10-21 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel. J.Struct.Biol., 211, 2020
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4Z0C
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![BU of 4z0c by Molmil](/molmil-images/mine/4z0c) | Crystal structure of TLR13-ssRNA13 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ... | Authors: | Song, W, Han, Z, Chai, J. | Deposit date: | 2015-03-26 | Release date: | 2015-10-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13 Nat.Struct.Mol.Biol., 22, 2015
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6M1J
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![BU of 6m1j by Molmil](/molmil-images/mine/6m1j) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6M1S
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![BU of 6m1s by Molmil](/molmil-images/mine/6m1s) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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4K3D
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![BU of 4k3d by Molmil](/molmil-images/mine/4k3d) | Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3 | Descriptor: | BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Ekiert, D.C, Wang, F, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Reshaping antibody diversity. Cell(Cambridge,Mass.), 153, 2013
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4K3E
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![BU of 4k3e by Molmil](/molmil-images/mine/4k3e) | Crystal structure of bovine antibody BLV5B8 with ultralong CDR H3 | Descriptor: | BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Ekiert, D.C, Wang, F, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reshaping antibody diversity. Cell(Cambridge,Mass.), 153, 2013
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8XRU
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![BU of 8xru by Molmil](/molmil-images/mine/8xru) | The crystal structure of a GH3 enzyme CcBgl3B with glycerol | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8WKJ
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8XRX
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![BU of 8xrx by Molmil](/molmil-images/mine/8xrx) | The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ... | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRT
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![BU of 8xrt by Molmil](/molmil-images/mine/8xrt) | The crystal structure of a GH3 enzyme CcBgl3B | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRV
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![BU of 8xrv by Molmil](/molmil-images/mine/8xrv) | The crystal structure of a GH3 enzyme CcBgl3B with glucose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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7D0J
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![BU of 7d0j by Molmil](/molmil-images/mine/7d0j) | Photosystem I-LHCI-LHCII of Chlamydomonas reinhardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Wang, W.D, Shen, L.L, Huang, Z.H, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2020-09-10 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Structure of photosystem I-LHCI-LHCII from the green alga Chlamydomonas reinhardtii in State 2. Nat Commun, 12, 2021
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6L35
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![BU of 6l35 by Molmil](/molmil-images/mine/6l35) | PSI-LHCI Supercomplex from Physcometrella patens | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Zhao, L, Yan, Q.J, Qin, X.C. | Deposit date: | 2019-10-09 | Release date: | 2021-02-10 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens. Cell Discov, 7, 2021
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6XDB
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![BU of 6xdb by Molmil](/molmil-images/mine/6xdb) | Crystal structure of IRE1a in complex with G-6904 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H.A, Weiru, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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7D6V
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![BU of 7d6v by Molmil](/molmil-images/mine/7d6v) | Mycobacterium smegmatis Sdh1 in complex with UQ1 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
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7D6X
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![BU of 7d6x by Molmil](/molmil-images/mine/7d6x) | Mycobacterium smegmatis Sdh1 complex in the apo form | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
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5HU9
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![BU of 5hu9 by Molmil](/molmil-images/mine/5hu9) | Crystal structure of ABL1 in complex with CHMFL-074 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2016-01-27 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML) Oncotarget, 7, 2016
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