8FY2
 
 | | E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) | | Descriptor: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | Authors: | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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8FY1
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2) | | Descriptor: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | Authors: | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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8H92
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7Y6I
 | | Cryo-EM structure of human sodium-chloride cotransporter | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nan, J, Yang, X, Shan, Z, Yuan, Y, Zhang, Y.Q. | | Deposit date: | 2022-06-20 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
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5YT1
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6BZJ
 | | Solution structure of AGL55 | | Descriptor: | M protein | | Authors: | Qiu, C, Yuan, Y, Castellino, F.J. | | Deposit date: | 2017-12-24 | | Release date: | 2019-01-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Contributions of different modules of the plasminogen-binding Streptococcus pyogenes M-protein that mediate its functional dimerization.
J.Struct.Biol., 204, 2018
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7CKR
 | | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | | Descriptor: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1 | | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | | Deposit date: | 2020-07-18 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
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7CKO
 | | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation | | Descriptor: | 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1 | | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | | Deposit date: | 2020-07-18 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
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7DA5
 | | Cryo-EM structure of the human MCT1 D309N mutant in complex with Basigin-2 in the inward-open conformation. | | Descriptor: | Basigin, Monocarboxylate transporter 1 | | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
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7Y7W
 | | Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7Z
 | | Cryo-EM structure of human GABA transporter GAT1 bound with tiagabine in NaCl solution in an inward-open state at 3.2 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7Y
 | | Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom | | Descriptor: | (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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7Y7V
 | | Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1 | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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6P78
 | | queuine lyase from Clostridium spiroforme bound to SAM and queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, IRON/SULFUR CLUSTER, Queuine lyase, ... | | Authors: | Almo, S.C, Grove, T.L. | | Deposit date: | 2019-06-05 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.726 Å) | | Cite: | Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6KVS
 | | Staphylococcus aureus FabH with covalent inhibitor Oxa1 | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, 4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide | | Authors: | Yuan, Y, Wang, J. | | Deposit date: | 2019-09-05 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of S. aureus FabH, beta-ketoacyl carrier protein synthase
To Be Published
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7C02
 | | Crystal structure of dimeric MERS-CoV receptor binding domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
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4XZ7
 | | Crystal structure of a TGase | | Descriptor: | Putative uncharacterized protein | | Authors: | Yu, J, Ge, J, Yang, M. | | Deposit date: | 2015-02-04 | | Release date: | 2015-06-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015
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8WGV
 | | BA.2(S375) Spike (S6P)/hACE2 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, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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8WGW
 | | Local refinement of RBD-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, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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5JHM
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5K00
 | | MELK in complex with NVS-MELK5 | | Descriptor: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | | Authors: | Sprague, E.R. | | Deposit date: | 2016-05-17 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
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6OG4
 | | plasminogen binding group A streptococcal M protein | | Descriptor: | Plasminogen, Plasminogen-binding group A streptococcal M-like protein PAM, SULFATE ION | | Authors: | Law, R.H.P, Quek, A.J, Whisstock, J.C, Caradoc-Davies, T.T. | | Deposit date: | 2019-04-01 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding.
J.Mol.Biol., 431, 2019
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4QZV
 | | Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
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6ZJ8
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7RWI
 | | Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | | Descriptor: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Molodtsov, V, Ebright, R.H. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
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