7Q5T
 
 | | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
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7RNN
 | | Human ASIC1a-Nb.C1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Nanobodies Nb.C1 | | Authors: | Wu, Y, Chen, Z, Sigworth, F.J, Canessa, C.M. | | Deposit date: | 2021-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structure and analysis of nanobody binding to the human ASIC1a ion channel.
Elife, 10, 2021
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6LUQ
 | | Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin | | Authors: | Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S. | | Deposit date: | 2020-01-30 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands.
Nat Commun, 11, 2020
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3BV9
 | | Structure of Thrombin Bound to the Inhibitor FM19 | | Descriptor: | FM19 inhibitor, GLYCEROL, IODIDE ION, ... | | Authors: | Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H. | | Deposit date: | 2008-01-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo.
J.Thromb.Haemost., 6, 2008
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6IMQ
 | | Crystal structure of PML B1-box multimers | | Descriptor: | CHLORIDE ION, Protein PML, ZINC ION | | Authors: | Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G. | | Deposit date: | 2018-10-23 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
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6LTU
 | | Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket | | Descriptor: | 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ... | | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | | Deposit date: | 2020-01-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
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6LTR
 | | Crystal structure of Cas12i2 ternary complex with single Mg2+ bound in catalytic pocket | | Descriptor: | 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ... | | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | | Deposit date: | 2020-01-23 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
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6LU0
 | | Crystal structure of Cas12i2 ternary complex with 12 nt spacer | | Descriptor: | Cas12i2, DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*CP*TP*CP*TP*GP*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*C)-3'), ... | | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | | Deposit date: | 2020-01-24 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
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6LTP
 | | Crystal structure of Cas12i2 binary complex | | Descriptor: | Cas12i2, crRNA (56-mer RNA) | | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | | Deposit date: | 2020-01-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
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7THM
 | | SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9 | | Descriptor: | MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y. | | Deposit date: | 2022-01-11 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
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6TN8
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | | Authors: | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-12-06 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
To Be Published
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8GQ6
 | | Cryo-EM Structure of the KBTBD2-CUL3-Rbx1 dimeric complex | | Descriptor: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ... | | Authors: | Sun, L, Chen, Z, Hu, Y, Mao, Q. | | Deposit date: | 2022-08-29 | | Release date: | 2023-09-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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7X1N
 | | Crystal structure of MEF2D-MRE complex | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein | | Authors: | Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.315 Å) | | Cite: | Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion.
Blood, 140, 2022
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1TQF
 | | Crystal structure of human Beta secretase complexed with inhibitor | | Descriptor: | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1 | | Authors: | Munshi, S, Chen, Z, Kuo, L. | | Deposit date: | 2004-06-17 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
J.Med.Chem., 47, 2004
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7WC5
 | | Crystal structure of serotonin 2A receptor in complex with psilocin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC6
 | | Crystal structure of serotonin 2A receptor in complex with LSD | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC9
 | | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | | Descriptor: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC7
 | | Crystal structure of serotonin 2A receptor in complex with lisuride | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC8
 | | Crystal structure of serotonin 2A receptor in complex with lumateperone | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC4
 | | Crystal structure of serotonin 2A receptor in complex with serotonin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7U1C
 | | Structure of EstG crystalized with SO4 and Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ... | | Authors: | Gabelli, S.B, Chen, Z. | | Deposit date: | 2022-02-20 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
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2JYU
 | | Human Granulin C, isomer 2 | | Descriptor: | Granulin-5 | | Authors: | Tolkatchev, D, Wang, P, Chen, Z, Xu, P, Ni, F. | | Deposit date: | 2007-12-19 | | Release date: | 2008-04-22 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure dissection of human progranulin identifies well-folded granulin/epithelin modules with unique functional activities.
Protein Sci., 17, 2008
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7SR9
 | | Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Di Cera, E, Ruben, E.A, Chen, Z. | | Deposit date: | 2021-11-08 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The active site region plays a critical role in Na + binding to thrombin.
J.Biol.Chem., 298, 2022
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6P9U
 | | Crystal structure of human thrombin mutant W215A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION | | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
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7BWT
 | | SopD-Rab8 complex structure | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jiang, K, Tong, M, Chen, Z, Gao, X. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Salmonella effector protein SopD targets Rab8 to positively and negatively modulate the inflammatory response.
Nat Microbiol, 6, 2021
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