4OQ5
 
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | Deposit date: | 2014-02-07 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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8JYU
 | | Acyl-ACP Synthetase structure bound to Decanoyl-AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, DECANOIC ACID, ... | | Authors: | Huang, H, Chang, S, Huang, M, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-07-03 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Acyl-ACP Synthetase structure bound to Decanoyl-AMP
To Be Published
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8JYL
 | | Acyl-ACP Synthetase structure bound to C10-AMS | | Descriptor: | Acyl-acyl carrier protein synthetase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate | | Authors: | Huang, H, Chang, S, Huang, M, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-07-03 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Acyl-ACP Synthetase structure bound to C10-AMS
To Be Published
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4AOJ
 | | Human TrkA in complex with the inhibitor AZ-23 | | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
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4OQ6
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | Deposit date: | 2014-02-07 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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1XHO
 | | Chorismate mutase from Clostridium thermocellum Cth-682 | | Descriptor: | Chorismate mutase, UNKNOWN ATOM OR ION | | Authors: | Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-20 | | Release date: | 2004-11-23 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
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4CT1
 | | Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | | Descriptor: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | | Deposit date: | 2014-03-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
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4CT2
 | | Human PDK1-PKCzeta Kinase Chimera | | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ... | | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | | Deposit date: | 2014-03-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
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6VP0
 | | Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ... | | Authors: | Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M. | | Deposit date: | 2020-02-01 | | Release date: | 2020-05-13 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
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7BPB
 | | Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Yang, C, Zhang, H. | | Deposit date: | 2020-03-22 | | Release date: | 2021-03-31 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
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7BP9
 | | Human AAA+ ATPase VCP mutant - T76E, ADP-bound form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Yang, C, Zhang, H. | | Deposit date: | 2020-03-21 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
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7BP8
 | | Human AAA+ ATPase VCP mutant - T76A, ADP-bound form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Yang, C, Zhang, H. | | Deposit date: | 2020-03-21 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
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7BPA
 | | Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Yang, C, Zhang, H. | | Deposit date: | 2020-03-21 | | Release date: | 2021-03-31 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
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5YEP
 | | Crystal structure of SO_3166-SO_3165 from Shewanella oneidensis | | Descriptor: | Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family | | Authors: | Jia, X, Gao, Z.Q, Zhang, H, Dong, Y.H. | | Deposit date: | 2017-09-19 | | Release date: | 2018-03-28 | | Last modified: | 2019-04-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-function analyses reveal the molecular architecture and neutralization mechanism of a bacterial HEPN-MNT toxin-antitoxin system.
J. Biol. Chem., 293, 2018
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5Z6N
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7JLV
 | | Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Disease resistance protein Roq1, MAGNESIUM ION | | Authors: | Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J. | | Deposit date: | 2020-07-30 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Science, 370, 2020
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7JLU
 | | Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ | | Descriptor: | CALCIUM ION, Disease resistance protein Roq1, XopQ | | Authors: | Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J. | | Deposit date: | 2020-07-30 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Science, 370, 2020
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7JLX
 | | Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ (TIR domains) | | Descriptor: | Disease resistance protein Roq1 | | Authors: | Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J. | | Deposit date: | 2020-07-30 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Science, 370, 2020
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6A8R
 | | Crystal structure of DUX4 HD2 domain associated with ERG DNA binding site | | Descriptor: | DNA (5'-D(P*AP*AP*TP*CP*TP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*TP*GP*AP*GP*AP*TP*T)-3'), Double homeobox protein 4 | | Authors: | Dong, X, Zhang, H, Cheng, N, Meng, G. | | Deposit date: | 2018-07-10 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | DUX4HD2-DNAERGstructure reveals new insight into DUX4-Responsive-Element.
Leukemia, 33, 2019
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6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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6AAX
 | | Crystal structure of TFB1M and h45 with SAM in homo sapiens | | Descriptor: | DI(HYDROXYETHYL)ETHER, Dimethyladenosine transferase 1, mitochondrial, ... | | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Gong, Q, Wu, J, Zhang, H, Shi, Y. | | Deposit date: | 2018-07-19 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.994 Å) | | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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6AJK
 | | Crystal structure of TFB1M and h45 in homo sapiens | | Descriptor: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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6A7B
 | | AKR1C3 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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7JR7
 | | Cryo-EM structure of ABCG5/G8 in complex with Fab 2E10 and 11F4 | | Descriptor: | ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8, Fab 11F4 heavy chain, ... | | Authors: | Huang, C.S, Yu, X, Min, X, Wang, Z, Zhang, H. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-07 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of ABCG5/G8 in complex with modulating antibodies
Commun Biol, 4, 2021
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6LB3
 | | Crystal structure of PA4674 in complex with its operator DNA (18bp) from Pseudomonas aeruginosa | | Descriptor: | DNA (5'-D(P*AP*CP*CP*CP*TP*TP*AP*AP*CP*GP*TP*TP*AP*AP*GP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*CP*TP*TP*AP*AP*CP*GP*TP*TP*AP*AP*GP*GP*GP*T)-3'), HTH cro/C1-type domain-containing protein, ... | | Authors: | Liu, Y, Zhang, H, Gao, Z, Dong, Y. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Crystal structure of PA4674 in complex with its operator DNA (18bp) from Pseudomonas aeruginosa
To Be Published
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