2MZL
 
 | | The Solution Structure of the Magnesium-bound Conantokin-G Mutant | | Descriptor: | Conantokin-R1-B | | Authors: | Kunda, S, Yuan, Y, Balsara, R.D, Zajicek, J, Castellino, F.J. | | Deposit date: | 2015-02-14 | | Release date: | 2015-06-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities toward Ion Channels of N-Methyl-d-aspartate Receptors.
J.Biol.Chem., 290, 2015
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8FY0
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) | | Descriptor: | Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ... | | Authors: | Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.94 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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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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5YT1
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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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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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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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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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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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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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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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5JHL
 | | Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
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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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4FIN
 | | Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase | | Descriptor: | CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ... | | Authors: | Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-09 | | Release date: | 2013-07-03 | | Last modified: | 2014-03-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The ABC-F protein EttA gates ribosome entry into the translation elongation cycle.
Nat.Struct.Mol.Biol., 21, 2014
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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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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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5JHM
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6ZJ8
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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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6M2L
 | | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | | Descriptor: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1 | | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | | Deposit date: | 2020-02-27 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
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