7WLN
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![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7V1U
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![BU of 7v1u by Molmil](/molmil-images/mine/7v1u) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-06 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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7V2J
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![BU of 7v2j by Molmil](/molmil-images/mine/7v2j) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-09 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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7EB2
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![BU of 7eb2 by Molmil](/molmil-images/mine/7eb2) | Cryo-EM structure of human GABA(B) receptor-Gi protein complex | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | Authors: | Shen, C, Mao, C, Xu, C, Jin, N, Zhang, H, Shen, D, Shen, Q, Wang, X, Hou, T, Rondard, P, Chen, Z, Pin, J, Zhang, Y, Liu, J. | Deposit date: | 2021-03-08 | Release date: | 2021-05-05 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of GABA B receptor-G i protein coupling. Nature, 594, 2021
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3T2K
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![BU of 3t2k by Molmil](/molmil-images/mine/3t2k) | Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound trisulfane | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | Deposit date: | 2011-07-22 | Release date: | 2012-05-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3501 Å) | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol., 178, 2012
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7VBH
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![BU of 7vbh by Molmil](/molmil-images/mine/7vbh) | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | Deposit date: | 2021-08-31 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
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7XIC
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![BU of 7xic by Molmil](/molmil-images/mine/7xic) | S-ECD (Omicron) in complex with STS165 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-04-12 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants. Iscience, 25, 2022
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7XID
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![BU of 7xid by Molmil](/molmil-images/mine/7xid) | S-ECD (Omicron) in complex with PD of 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: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-04-12 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants. Iscience, 25, 2022
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3T2Y
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![BU of 3t2y by Molmil](/molmil-images/mine/3t2y) | Crystal structure of sulfide:quinone oxidoreductase His132Ala variant from Acidithiobacillus ferrooxidans with bound disulfide | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | Deposit date: | 2011-07-23 | Release date: | 2012-05-16 | Last modified: | 2012-06-13 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol., 178, 2012
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7XA3
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![BU of 7xa3 by Molmil](/molmil-images/mine/7xa3) | Cryo-EM structure of the CCL2 bound CCR2-Gi complex | Descriptor: | C-C motif chemokine 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H. | Deposit date: | 2022-03-17 | Release date: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3. Cell Discov, 8, 2022
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7X9Y
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![BU of 7x9y by Molmil](/molmil-images/mine/7x9y) | Cryo-EM structure of the apo CCR3-Gi complex | Descriptor: | C-C chemokine receptor type 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H. | Deposit date: | 2022-03-16 | Release date: | 2022-08-24 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3. Cell Discov, 8, 2022
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7F65
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![BU of 7f65 by Molmil](/molmil-images/mine/7f65) | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | Descriptor: | BENZOIC ACID, Cocaine esterase, SULFATE ION | Authors: | Ouyang, P.F, Zhang, Y, Tong, J. | Deposit date: | 2021-06-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase. Angew.Chem.Int.Ed.Engl., 60, 2021
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4IFC
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![BU of 4ifc by Molmil](/molmil-images/mine/4ifc) | Crystal Structure of ADP-bound Human PRPF4B kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-14 | Release date: | 2013-08-28 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IJP
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![BU of 4ijp by Molmil](/molmil-images/mine/4ijp) | Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | Descriptor: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-22 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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7WDL
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![BU of 7wdl by Molmil](/molmil-images/mine/7wdl) | Fungal immunomodulatory protein FIP-nha | Descriptor: | Fungal immunomodulatory protein | Authors: | Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z. | Deposit date: | 2021-12-22 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties. Int.J.Biol.Macromol., 213, 2022
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4IIR
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![BU of 4iir by Molmil](/molmil-images/mine/4iir) | Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-20 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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3TKJ
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![BU of 3tkj by Molmil](/molmil-images/mine/3tkj) | Crystal Structure of Human Asparaginase-like Protein 1 Thr168Ala | Descriptor: | L-asparaginase, SODIUM ION, SULFATE ION, ... | Authors: | Li, W.Z, Yogesha, S.D, Liu, J, Zhang, Y. | Deposit date: | 2011-08-26 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation. Acs Chem.Biol., 7, 2012
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7ROM
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![BU of 7rom by Molmil](/molmil-images/mine/7rom) | |
7C7Q
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![BU of 7c7q by Molmil](/molmil-images/mine/7c7q) | Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of inactive and active GABABreceptor. Cell Res., 30, 2020
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7W2Z
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![BU of 7w2z by Molmil](/molmil-images/mine/7w2z) | Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex | Descriptor: | Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ... | Authors: | Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y. | Deposit date: | 2021-11-24 | Release date: | 2022-01-19 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Nat Commun, 13, 2022
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7WIG
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![BU of 7wig by Molmil](/molmil-images/mine/7wig) | Cryo-EM structure of the L-054,264-bound human SSTR2-Gi1 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C. | Deposit date: | 2022-01-03 | Release date: | 2022-06-01 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes. Cell Res., 32, 2022
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7WIC
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![BU of 7wic by Molmil](/molmil-images/mine/7wic) | Cryo-EM structure of the SS-14-bound human SSTR2-Gi1 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C. | Deposit date: | 2022-01-03 | Release date: | 2022-06-01 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes. Cell Res., 32, 2022
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7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | Deposit date: | 2021-08-05 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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