6GIA
 
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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6GI8
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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6GI7
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25I | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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6GKV
 | | Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH | | Descriptor: | 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Dunstan, M.S, Levy, C.W. | | Deposit date: | 2018-05-22 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7ENY
 | | Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli | | Descriptor: | 7alpha-hydroxysteroid dehydrogenase | | Authors: | Kim, K.-H, Lee, C.W, Pardhe, D.P, Hwang, J, Do, H, Lee, Y.M, Lee, J.H, Oh, T.-J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal structure of an apo 7 alpha-hydroxysteroid dehydrogenase reveals key structural changes induced by substrate and co-factor binding.
J.Steroid Biochem.Mol.Biol., 212, 2021
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7DVD
 | | The crystal structure of p53 DNA binding domain and PUMA complex | | Descriptor: | Bcl-2-binding component 3, isoforms 1/2, Cellular tumor antigen p53, ... | | Authors: | Han, C.W, Lee, H.N, Jeong, M.S, Jang, S.B. | | Deposit date: | 2021-01-13 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural basis of the p53 DNA binding domain and PUMA complex.
Biochem.Biophys.Res.Commun., 548, 2021
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7DVN
 | | Crystal structure of a MarR family protein in complex with a lipid-like effector molecule from the psychrophilic bacterium Paenisporosarcina sp. TG-14 | | Descriptor: | MarR family transcriptional regulator, PALMITIC ACID | | Authors: | Lee, C.W, Hwang, J, Do, H, Lee, J.H. | | Deposit date: | 2021-01-14 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule.
Iucrj, 8, 2021
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7ELF
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7F92
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0 | | Descriptor: | Gap junction alpha-1 protein, TETRADECANE | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2021-07-03 | | Release date: | 2022-07-06 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7F93
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in nanodiscs with soybean lipids at pH ~8.0 | | Descriptor: | Gap junction alpha-1 protein, TETRADECANE | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2021-07-03 | | Release date: | 2022-07-06 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7F94
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel with two conformationally different hemichannels | | Descriptor: | A C-terminal deletion mutant of gap junction alpha-1 protein (Cx43-M257) | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2021-07-03 | | Release date: | 2022-07-06 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7E8N
 | | Crystal structure of Type II citrate synthase (HyCS) from Hymenobacter sp. PAMC 26554 | | Descriptor: | CITRIC ACID, Citrate synthase | | Authors: | Park, S.-H, Lee, C.W, Bae, D.-W, Lee, J.H. | | Deposit date: | 2021-03-02 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of the cooperative activation of type II citrate synthase (HyCS) from Hymenobacter sp. PAMC 26554.
Int.J.Biol.Macromol., 183, 2021
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7D11
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7JIF
 | | HRAS A59T GppNHp | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.757 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JII
 | | HRAS A59E GDP | | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.532 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIG
 | | HRAS A59T GppNHp crystal 2 | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7DTW
 | | Human Calcium-Sensing Receptor in the inactive close-close conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7DTU
 | | Human Calcium-Sensing Receptor bound with L-Trp | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7DTT
 | | Human Calcium-Sensing Receptor bound with calcium ions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7DTV
 | | Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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8OIO
 | | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... | | Authors: | Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | | Deposit date: | 2023-03-23 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
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3CXW
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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3CYN
 | | The structure of human GPX8 | | Descriptor: | GLYCEROL, Probable glutathione peroxidase 8, SULFATE ION | | Authors: | Kavanagh, K.L, Johansson, C, Yue, W.W, Kochan, G, Pike, A.C.W, Murray, J, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of human GPX8
To be Published
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5NNC
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | | Descriptor: | Bromodomain-containing protein 4, Histone H3 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2017-04-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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5GRJ
 | | Crystal structure of human PD-L1 with monoclonal antibody avelumab | | Descriptor: | Programmed cell death 1 ligand 1, avelumab H chain, avelumab L chain | | Authors: | Liu, K, Tan, S, Chai, Y, Chen, D, Song, H, Zhang, C.W.-H, Shi, Y, Liu, J, Tan, W, Lyu, J, Gao, S, Yan, J, Qi, J, Gao, G.F. | | Deposit date: | 2016-08-11 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.206 Å) | | Cite: | Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy.
Cell Res., 27, 2017
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