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7V2J
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BU of 7v2j by Molmil
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
7V1U
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BU of 7v1u by Molmil
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
3UON
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BU of 3uon by Molmil
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ...
Authors:Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T.
Deposit date:2011-11-16
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist.
Nature, 482, 2012
4QKX
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BU of 4qkx by Molmil
Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody
Descriptor: 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ...
Authors:Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P.
Deposit date:2014-06-10
Release date:2014-07-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
3JUI
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BU of 3jui by Molmil
Crystal Structure of the C-terminal Domain of Human Translation Initiation Factor eIF2B epsilon Subunit
Descriptor: GLYCEROL, Translation initiation factor eIF-2B subunit epsilon
Authors:Wei, J, Xu, H, Zhang, C, Wang, M, Gao, F, Gong, W.
Deposit date:2009-09-15
Release date:2009-10-06
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the C-terminal Domain of Human Translation Initiation Factor eIF2B epsilon Subunit
To be published
7VL8
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BU of 7vl8 by Molmil
Cryo-EM structure of the Apo CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7X9Y
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BU of 7x9y by Molmil
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
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3.
Cell Discov, 8, 2022
7XA3
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BU of 7xa3 by Molmil
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
6NT5
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BU of 6nt5 by Molmil
Cryo-EM structure of full-length human STING in the apo state
Descriptor: Stimulator of interferon protein
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6NT6
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BU of 6nt6 by Molmil
Cryo-EM structure of full-length chicken STING in the apo state
Descriptor: Stimulator of interferon genes protein
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
7Y36
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BU of 7y36 by Molmil
Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs 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, HYDROXIDE ION, ...
Authors:Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
Deposit date:2022-06-10
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex
to be published
7Y35
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BU of 7y35 by Molmil
Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
Descriptor: Abaloparatide, 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:Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
Deposit date:2022-06-09
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
To Be Published
6NSQ
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BU of 6nsq by Molmil
Crystal structure of BRAF kinase domain bound to the inhibitor 2l
Descriptor: 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf
Authors:Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F.
Deposit date:2019-01-25
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.
Acs Med.Chem.Lett., 10, 2019
6NT7
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BU of 6nt7 by Molmil
Cryo-EM structure of full-length chicken STING in the cGAMP-bound dimeric state
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6NT8
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BU of 6nt8 by Molmil
Cryo-EM structure of full-length chicken STING in the cGAMP-bound tetrameric state
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6KO0
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BU of 6ko0 by Molmil
The crystal structue of PDE10A complexed with 1i
Descriptor: 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.600029 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
Deposit date:2020-11-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
6KO1
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BU of 6ko1 by Molmil
The crystal structue of PDE10A complexed with 2d
Descriptor: 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
7VL9
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BU of 7vl9 by Molmil
Cryo-EM structure of the CCL15(26-92) bound CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CCL15(26-92), CHOLESTEROL, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7VLA
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BU of 7vla by Molmil
Cryo-EM structure of the CCL15(27-92) bound CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CCL15(27-92), CHOLESTEROL, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
5DAY
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BU of 5day by Molmil
The structure of NAP1-Related Protein(NRP1) in Arabidopsis
Descriptor: CALCIUM ION, NAP1-related protein 1
Authors:Zhu, Y, Rong, L, Yang, Y, Zhang, C, Feng, H.Y, Zheng, L.N, Shen, W.H, Ma, J.B, Dong, A.W.
Deposit date:2015-08-20
Release date:2016-09-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:The structure of NAP1-Related Protein(NRP1) in Arabidopsis
To Be Published
7V9M
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BU of 7v9m by Molmil
Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 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(s) subunit alpha isoforms short, ...
Authors:Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W.
Deposit date:2021-08-26
Release date:2021-10-20
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
Descriptor: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, 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:Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
Deposit date:2021-08-26
Release date:2022-04-06
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
3FCU
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BU of 3fcu by Molmil
Structure of headpiece of integrin aIIBb3 in open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
3FCS
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BU of 3fcs by Molmil
Structure of complete ectodomain of integrin aIIBb3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008

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