7RNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rnh by Molmil](/molmil-images/mine/7rnh) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | 分子名称: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7RMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmb by Molmil](/molmil-images/mine/7rmb) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78 | 分子名称: | 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-27 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7RN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rn4 by Molmil](/molmil-images/mine/7rn4) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69 | 分子名称: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7RMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmz by Molmil](/molmil-images/mine/7rmz) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63 | 分子名称: | 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-28 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7AQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aqe by Molmil](/molmil-images/mine/7aqe) | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Guenther, S, Reinke, P, Meents, A. | 登録日 | 2020-10-21 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
3H0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h0a by Molmil](/molmil-images/mine/3h0a) | Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist | 分子名称: | 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ... | 著者 | Wang, Z, Sudom, A, Walker, N.P. | 登録日 | 2009-04-08 | 公開日 | 2009-06-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Bioorg.Med.Chem.Lett., 19, 2009
|
|
2Y2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y2y by Molmil](/molmil-images/mine/2y2y) | Oxidised form of E. coli CsgC | 分子名称: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | 著者 | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | 登録日 | 2010-12-16 | 公開日 | 2011-09-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Atomic Resolution Insights Into Curli Fiber Biogenesis. Structure, 19, 2011
|
|
6KSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ksq by Molmil](/molmil-images/mine/6ksq) | |
5ULA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ula by Molmil](/molmil-images/mine/5ula) | |
6KGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kgh by Molmil](/molmil-images/mine/6kgh) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form) | 分子名称: | COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION | 著者 | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | 登録日 | 2019-07-11 | 公開日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
|
|
6KGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kgs by Molmil](/molmil-images/mine/6kgs) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | 著者 | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | 登録日 | 2019-07-12 | 公開日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (2.309 Å) | 主引用文献 | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
|
|
6KGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kgw by Molmil](/molmil-images/mine/6kgw) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | 著者 | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | 登録日 | 2019-07-12 | 公開日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (2.407 Å) | 主引用文献 | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
|
|
5KO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ko2 by Molmil](/molmil-images/mine/5ko2) | Mouse pgp 34 linker deleted mutant Hg derivative | 分子名称: | MERCURY (II) ION, Multidrug resistance protein 1A | 著者 | Xia, D, Esser, L, Zhou, F. | 登録日 | 2016-06-29 | 公開日 | 2016-11-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
|
|
5KOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5koy by Molmil](/molmil-images/mine/5koy) | Mouse pgp 34 linker deleted bound with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Multidrug resistance protein 1A | 著者 | Xia, D, Esser, L, Zhou, F. | 登録日 | 2016-07-01 | 公開日 | 2016-12-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.85 Å) | 主引用文献 | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
|
|
5KPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpd by Molmil](/molmil-images/mine/5kpd) | Mouse pgp 34 linker deleted double EQ mutant | 分子名称: | Multidrug resistance protein 1A | 著者 | Xia, D, Esser, L, Zhou, F. | 登録日 | 2016-07-03 | 公開日 | 2016-11-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
|
|
5KPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpi by Molmil](/molmil-images/mine/5kpi) | Mouse native PGP | 分子名称: | Multidrug resistance protein 1A | 著者 | Xia, D, Esser, L, Zhou, F. | 登録日 | 2016-07-04 | 公開日 | 2016-11-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (4.01 Å) | 主引用文献 | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
|
|
4F9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f9n by Molmil](/molmil-images/mine/4f9n) | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein | 著者 | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2012-05-19 | 公開日 | 2012-06-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution To be Published
|
|
5JVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jvh by Molmil](/molmil-images/mine/5jvh) | |
4F8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f8p by Molmil](/molmil-images/mine/4f8p) | X-ray structure of PsaA from Yersinia pestis, in complex with galactose | 分子名称: | ACETATE ION, TERT-BUTYL FORMATE, beta-D-galactopyranose, ... | 著者 | Bao, R, Esser, L, Xia, D. | 登録日 | 2012-05-17 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4F8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f8l by Molmil](/molmil-images/mine/4f8l) | X-ray structure of PsaA from Yersinia pestis, in complex with galactose and AEBSF | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, BROMIDE ION, GLYCINE, ... | 著者 | Bao, R, Esser, L, Xia, D. | 登録日 | 2012-05-17 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4F8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f8o by Molmil](/molmil-images/mine/4f8o) | X-ray structure of PsaA from Yersinia pestis, in complex with lactose and AEBSF | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, GUANIDINE, ... | 著者 | Bao, R, Esser, L, Xia, D. | 登録日 | 2012-05-17 | 公開日 | 2013-05-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7C0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c0q by Molmil](/molmil-images/mine/7c0q) | a Legionella pneumophila effector Lpg2505 | 分子名称: | GLYCEROL, effector Lpg2505 | 著者 | Chen, T.T, Han, A.D, Luo, Z.Q, McCloskey, A, Perri, K. | 登録日 | 2020-05-01 | 公開日 | 2021-02-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The metaeffector MesI regulates the activity of the Legionella effector SidI through direct protein-protein interactions. Microbes Infect., 23, 2021
|
|
8DY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dy2 by Molmil](/molmil-images/mine/8dy2) | Crystal Structure of spFv GLK1 | 分子名称: | SULFATE ION, spFv GLK1 LH | 著者 | Luo, J, Boucher, L.E. | 登録日 | 2022-08-03 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
|
|
8DY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dy4 by Molmil](/molmil-images/mine/8dy4) | |
8DY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dy5 by Molmil](/molmil-images/mine/8dy5) | |