4H07
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![BU of 4h07 by Molmil](/molmil-images/mine/4h07) | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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4H0B
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![BU of 4h0b by Molmil](/molmil-images/mine/4h0b) | Complex of G65T Myoglobin with DMSO in its Distal Cavity | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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4HBM
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![BU of 4hbm by Molmil](/molmil-images/mine/4hbm) | Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid | Authors: | Huang, X. | Deposit date: | 2012-09-28 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ordering of the N-terminus of human MDM2 by small molecule inhibitors. J.Am.Chem.Soc., 134, 2012
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4I9I
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![BU of 4i9i by Molmil](/molmil-images/mine/4i9i) | Crystal structure of tankyrase 1 with compound 4 | Descriptor: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2012-12-05 | Release date: | 2013-02-06 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket. J.Med.Chem., 56, 2013
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6CZS
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![BU of 6czs by Molmil](/molmil-images/mine/6czs) | |
6CZK
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![BU of 6czk by Molmil](/molmil-images/mine/6czk) | Crystal structure of wild-type human pro-cathepsin H | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Pro-cathepsin H, ... | Authors: | Huang, X, Hao, Y. | Deposit date: | 2018-04-09 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structures of human procathepsin H. PLoS ONE, 13, 2018
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7EJH
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![BU of 7ejh by Molmil](/molmil-images/mine/7ejh) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex | Descriptor: | 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72883928 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJJ
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![BU of 7ejj by Molmil](/molmil-images/mine/7ejj) | Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.80000663 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7EJI
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![BU of 7eji by Molmil](/molmil-images/mine/7eji) | Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-04-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.560016 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7VE7
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![BU of 7ve7 by Molmil](/molmil-images/mine/7ve7) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-09-08 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.720007 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7VDO
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![BU of 7vdo by Molmil](/molmil-images/mine/7vdo) | Crystal structure of KRED F147L/L153Q/Y190P variant | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ... | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | Deposit date: | 2021-09-07 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85571563 Å) | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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7VM8
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![BU of 7vm8 by Molmil](/molmil-images/mine/7vm8) | Crystal structure of the MtDMI1 gating ring | Descriptor: | Ion channel DMI1 | Authors: | Huang, X, Zhang, P. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.034 Å) | Cite: | Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula. Proc.Natl.Acad.Sci.USA, 119, 2022
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4WBE
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![BU of 4wbe by Molmil](/molmil-images/mine/4wbe) | |
4WBP
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3M4O
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![BU of 3m4o by Molmil](/molmil-images/mine/3m4o) | RNA polymerase II elongation complex B | Descriptor: | DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, D, Zhu, G, Huang, X, Lippard, S.J. | Deposit date: | 2010-03-11 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc.Natl.Acad.Sci.USA, 107, 2010
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6WJH
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![BU of 6wjh by Molmil](/molmil-images/mine/6wjh) | |
2LZG
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![BU of 2lzg by Molmil](/molmil-images/mine/2lzg) | NMR Structure of Mdm2 (6-125) with Pip-1 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L. | Deposit date: | 2012-10-02 | Release date: | 2012-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors. J.Am.Chem.Soc., 134, 2012
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1HWV
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![BU of 1hwv by Molmil](/molmil-images/mine/1hwv) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-10 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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1HX4
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![BU of 1hx4 by Molmil](/molmil-images/mine/1hx4) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-11 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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9AXY
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![BU of 9axy by Molmil](/molmil-images/mine/9axy) | Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | Authors: | Quade, B, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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9AXA
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![BU of 9axa by Molmil](/molmil-images/mine/9axa) | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | Descriptor: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | Authors: | Quade, B, Cohen, S.E, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.36 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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1NOQ
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![BU of 1noq by Molmil](/molmil-images/mine/1noq) | e-motif structure | Descriptor: | 5'-D(*CP*CP*GP*CP*CP*G)-3' | Authors: | Zheng, M, Huang, X, Smith, G.K, Yang, X, Gao, X. | Deposit date: | 2003-01-16 | Release date: | 2003-02-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Genetically unstable CXG repeats are structurally dynamic and have a high propensity for folding.
An NMR and UV spectroscopic study. J.Mol.Biol., 264, 1996
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4WT2
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![BU of 4wt2 by Molmil](/molmil-images/mine/4wt2) | Co-crystal Structure of MDM2 in Complex with AM-7209 | Descriptor: | 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-10-30 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction. J.Med.Chem., 57, 2014
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3ZIF
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![BU of 3zif by Molmil](/molmil-images/mine/3zif) | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates Virology, 450, 2014
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6OGE
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![BU of 6oge by Molmil](/molmil-images/mine/6oge) | Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ... | Authors: | Hao, Y, Yu, X, Bai, Y, Huang, X. | Deposit date: | 2019-04-02 | Release date: | 2019-05-15 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.36 Å) | Cite: | Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex. Plos One, 14, 2019
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