7CDX
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![BU of 7cdx by Molmil](/molmil-images/mine/7cdx) | Complex STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR with its effector sucrose | Descriptor: | LacI-type transcription factor, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G. | Deposit date: | 2020-06-20 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants. J.Biol.Chem., 295, 2020
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7WL4
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![BU of 7wl4 by Molmil](/molmil-images/mine/7wl4) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide | Authors: | Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors. Bioorg.Chem., 127, 2022
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7ECA
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![BU of 7eca by Molmil](/molmil-images/mine/7eca) | |
2K7J
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![BU of 2k7j by Molmil](/molmil-images/mine/2k7j) | Human Acylphosphatase(AcPh) surface charge-optimized | Descriptor: | Acylphosphatase-1 | Authors: | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | Deposit date: | 2008-08-12 | Release date: | 2009-02-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions Proc.Natl.Acad.Sci.USA, 106, 2009
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2K7K
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![BU of 2k7k by Molmil](/molmil-images/mine/2k7k) | Human Acylphosphatase (AcPh) common type | Descriptor: | Acylphosphatase-1 | Authors: | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | Deposit date: | 2008-08-13 | Release date: | 2009-02-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions Proc.Natl.Acad.Sci.USA, 106, 2009
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2GJ7
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![BU of 2gj7 by Molmil](/molmil-images/mine/2gj7) | Crystal Structure of a gE-gI/Fc complex | Descriptor: | Glycoprotein E, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J. | Deposit date: | 2006-03-30 | Release date: | 2006-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging. Plos Biol., 4, 2006
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2GIY
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![BU of 2giy by Molmil](/molmil-images/mine/2giy) | |
2L8L
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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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7D6F
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![BU of 7d6f by Molmil](/molmil-images/mine/7d6f) | The crystal structure of ARMS-PBM/MAGI2-PDZ4 | Descriptor: | GLYCEROL, Kinase D-interacting substrate of 220 kDa, Membrane-associated guanylate kinase, ... | Authors: | Ye, J, Zhang, Y, Zhong, Z, Wang, C. | Deposit date: | 2020-09-30 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Crystal structure of the PDZ4 domain of MAGI2 in complex with PBM of ARMS reveals a canonical PDZ recognition mode. Neurochem.Int., 149, 2021
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7CSP
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![BU of 7csp by Molmil](/molmil-images/mine/7csp) | Structure of Ephexin4 IDPSH | Descriptor: | Rho guanine nucleotide exchange factor 16 | Authors: | Zhang, M, Lin, L, Wang, C, Zhu, J. | Deposit date: | 2020-08-15 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Double inhibition and activation mechanisms of Ephexin family RhoGEFs. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CSR
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![BU of 7csr by Molmil](/molmil-images/mine/7csr) | Structure of Ephexin4 R676L | Descriptor: | Rho guanine nucleotide exchange factor 16 | Authors: | Zhang, M, Lin, L, Wang, C, Zhu, J. | Deposit date: | 2020-08-17 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Double inhibition and activation mechanisms of Ephexin family RhoGEFs. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CSO
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![BU of 7cso by Molmil](/molmil-images/mine/7cso) | Structure of Ephexin4 DH-PH-SH3 | Descriptor: | Rho guanine nucleotide exchange factor 16, SULFATE ION | Authors: | Zhang, M, Lin, L, Wang, C, Zhu, J. | Deposit date: | 2020-08-15 | Release date: | 2021-02-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Double inhibition and activation mechanisms of Ephexin family RhoGEFs. Proc.Natl.Acad.Sci.USA, 118, 2021
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7EP7
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![BU of 7ep7 by Molmil](/molmil-images/mine/7ep7) | The complex structure of Gpsm2 and Whirlin | Descriptor: | G-protein-signaling modulator 2, Whirlin | Authors: | Lin, L, Shi, Y, Wang, C, Zhu, J. | Deposit date: | 2021-04-26 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Promotion of row 1-specific tip complex condensates by Gpsm2-G alpha i provides insights into row identity of the tallest stereocilia. Sci Adv, 8, 2022
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7ERL
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7DMG
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![BU of 7dmg by Molmil](/molmil-images/mine/7dmg) | Short chain dehydrogenase 2 (SCR2) crystal structure with NADP | Descriptor: | (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-03 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLM
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![BU of 7dlm by Molmil](/molmil-images/mine/7dlm) | Short chain dehydrogenase (SCR) crystal structure with NADPH | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-28 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLD
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![BU of 7dld by Molmil](/molmil-images/mine/7dld) | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-27 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DN1
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![BU of 7dn1 by Molmil](/molmil-images/mine/7dn1) | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-08 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLL
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![BU of 7dll by Molmil](/molmil-images/mine/7dll) | Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH | Descriptor: | (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-28 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7XIJ
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![BU of 7xij by Molmil](/molmil-images/mine/7xij) | Crystal structure of CBP bromodomain liganded with Y08175 | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2022-04-13 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08175 To Be Published
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7XNE
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![BU of 7xne by Molmil](/molmil-images/mine/7xne) | Crystal structure of CBP bromodomain liganded with Y08284 | Descriptor: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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7XH3
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7XFV
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![BU of 7xfv by Molmil](/molmil-images/mine/7xfv) | |