8WU3
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7XYQ
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![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | Deposit date: | 2022-06-02 | Release date: | 2023-04-12 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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8JVA
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![BU of 8jva by Molmil](/molmil-images/mine/8jva) | Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ... | Authors: | Liu, B, Liu, H.H, Han, P, Qi, J.X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain. Signal Transduct Target Ther, 9, 2024
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7XAD
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![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | Deposit date: | 2022-03-17 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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4O1I
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![BU of 4o1i by Molmil](/molmil-images/mine/4o1i) | Crystal Structure of the regulatory domain of MtbGlnR | Descriptor: | Transcriptional regulatory protein | Authors: | Lin, W, Wang, C, Zhang, P. | Deposit date: | 2013-12-16 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions J.Biol.Chem., 289, 2014
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4O1H
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![BU of 4o1h by Molmil](/molmil-images/mine/4o1h) | Crystal Structure of the regulatory domain of AmeGlnR | Descriptor: | Transcription regulator GlnR | Authors: | Lin, W, Wang, C, Zhang, P. | Deposit date: | 2013-12-16 | Release date: | 2014-04-23 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions J.Biol.Chem., 289, 2014
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7WSH
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![BU of 7wsh by Molmil](/molmil-images/mine/7wsh) | Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain in complex with sea lion ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Li, S, Han, P, Qi, J. | Deposit date: | 2022-01-29 | Release date: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals. Natl Sci Rev, 9, 2022
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7WSG
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7WSE
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7WSF
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7XA7
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![BU of 7xa7 by Molmil](/molmil-images/mine/7xa7) | Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Tang, L.F, Zhang, D, Han, P, Qi, J.X. | Deposit date: | 2022-03-17 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2. Int J Biol Sci, 18, 2022
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7WNM
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![BU of 7wnm by Molmil](/molmil-images/mine/7wnm) | Structure of SARS-CoV-2 Gamma variant receptor-binding domain complexed with high affinity human ACE2 mutant (T27F,R273Q) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Ma, R.Y, Han, P.C, Wang, Q.H, Han, P. | Deposit date: | 2022-01-18 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A binding-enhanced but enzymatic activity-eliminated human ACE2 efficiently neutralizes SARS-CoV-2 variants. Signal Transduct Target Ther, 7, 2022
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7XBY
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![BU of 7xby by Molmil](/molmil-images/mine/7xby) | The crystal structure of SARS-CoV-2 Omicron BA.1 variant RBD in complex with equine ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, BROMIDE ION, ... | Authors: | Xu, Z.P, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses. Nat Commun, 13, 2022
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6Q0X
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7W6R
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![BU of 7w6r by Molmil](/molmil-images/mine/7w6r) | Structure of Bat coronavirus RaTG13 spike receptor-binding domain complexed with its receptor equine ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | Authors: | Xu, Z.P, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2021-12-02 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses Nat Commun, 13, 2022
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7W6U
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![BU of 7w6u by Molmil](/molmil-images/mine/7w6u) | Structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor equine ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Xu, Z.P, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2021-12-02 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses Nat Commun, 13, 2022
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7XAE
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![BU of 7xae by Molmil](/molmil-images/mine/7xae) | Crystal strucutre of PD-L1 and 3ONJA protein | Descriptor: | 2IC6, Programmed cell death 1 ligand 1 | Authors: | Liu, K.F, Xu, Z.P, Han, P, Gao, G.F, Chai, Y, Tan, S.G. | Deposit date: | 2022-03-17 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Crystal strucutre of PD-L1 and 2IC6 protein To Be Published
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7XBF
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![BU of 7xbf by Molmil](/molmil-images/mine/7xbf) | The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBG
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![BU of 7xbg by Molmil](/molmil-images/mine/7xbg) | The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBH
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![BU of 7xbh by Molmil](/molmil-images/mine/7xbh) | The complex structure of RshSTT182/200 RBD bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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8B56
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![BU of 8b56 by Molmil](/molmil-images/mine/8b56) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | Descriptor: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | Authors: | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | Deposit date: | 2022-09-21 | Release date: | 2023-08-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.823 Å) | Cite: | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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4R5J
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![BU of 4r5j by Molmil](/molmil-images/mine/4r5j) | Crystal structure of the DnaK C-terminus (Dnak-SBD-A) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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4R5L
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![BU of 4r5l by Molmil](/molmil-images/mine/4r5l) | Crystal structure of the DnaK C-terminus (Dnak-SBD-C) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION, ... | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9701 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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4R5M
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![BU of 4r5m by Molmil](/molmil-images/mine/4r5m) | Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid | Descriptor: | 4-nitro-2-phosphonobenzoic acid, Aspartate-semialdehyde dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | Deposit date: | 2014-08-21 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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4R5G
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![BU of 4r5g by Molmil](/molmil-images/mine/4r5g) | Crystal structure of the DnaK C-terminus with the inhibitor PET-16 | Descriptor: | Chaperone protein DnaK, triphenyl(phenylethynyl)phosphonium | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.4501 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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