6K8I
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![BU of 6k8i by Molmil](/molmil-images/mine/6k8i) | Crystal structure of Arabidopsis thaliana CRY2 | Descriptor: | Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ma, L, Wang, X, Guan, Z, Yin, P. | Deposit date: | 2019-06-12 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2. Nat.Struct.Mol.Biol., 27, 2020
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1H1R
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![BU of 1h1r by Molmil](/molmil-images/mine/1h1r) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | Descriptor: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat. Struct. Biol., 9, 2002
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1H1Q
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![BU of 1h1q by Molmil](/molmil-images/mine/1h1q) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | Descriptor: | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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1H1S
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![BU of 1h1s by Molmil](/molmil-images/mine/1h1s) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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1H1P
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![BU of 1h1p by Molmil](/molmil-images/mine/1h1p) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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6K8K
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![BU of 6k8k by Molmil](/molmil-images/mine/6k8k) | Crystal structure of Arabidopsis thaliana BIC2-CRY2 complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Wang, X, Ma, L, Guan, Z, Yin, P. | Deposit date: | 2019-06-12 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2. Nat.Struct.Mol.Biol., 27, 2020
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8D36
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![BU of 8d36 by Molmil](/molmil-images/mine/8d36) | |
8DAO
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![BU of 8dao by Molmil](/molmil-images/mine/8dao) | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79 | Descriptor: | COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ... | Authors: | Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A. | Deposit date: | 2022-06-13 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Broadly neutralizing antibodies target the coronavirus fusion peptide. Science, 377, 2022
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8D6Z
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![BU of 8d6z by Molmil](/molmil-images/mine/8d6z) | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27 | Descriptor: | Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide | Authors: | Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Broadly neutralizing antibodies target the coronavirus fusion peptide. Science, 377, 2022
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7C01
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![BU of 7c01 by Molmil](/molmil-images/mine/7c01) | Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ... | Authors: | Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J. | Deposit date: | 2020-04-29 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2. Nature, 584, 2020
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7QJU
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![BU of 7qju by Molmil](/molmil-images/mine/7qju) | EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
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![BU of 7qjg by Molmil](/molmil-images/mine/7qjg) | EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QK4
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![BU of 7qk4 by Molmil](/molmil-images/mine/7qk4) | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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6PEB
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![BU of 6peb by Molmil](/molmil-images/mine/6peb) | Crystal Structure of human NAMPT in complex with NVP-LTM976 | Descriptor: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A. | Deposit date: | 2019-06-20 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT). Acs Med.Chem.Lett., 10, 2019
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4NXF
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![BU of 4nxf by Molmil](/molmil-images/mine/4nxf) | Crystal structure of iLOV-I486(2LT) at pH 8.0 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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8DTX
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![BU of 8dtx by Molmil](/molmil-images/mine/8dtx) | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22 | Descriptor: | COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide | Authors: | Lin, T.H, Lee, C.C.D, Wilson, I.A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses. Cell Host Microbe, 31, 2023
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8DTR
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![BU of 8dtr by Molmil](/molmil-images/mine/8dtr) | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14 | Descriptor: | COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide | Authors: | Lee, C.C.D, Lin, T.H, Wilson, I.A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses. Cell Host Microbe, 31, 2023
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8DTT
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![BU of 8dtt by Molmil](/molmil-images/mine/8dtt) | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03 | Descriptor: | COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide | Authors: | Lee, C.C.D, Lin, T.H, Wilson, I.A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses. Cell Host Microbe, 31, 2023
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5YMS
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![BU of 5yms by Molmil](/molmil-images/mine/5yms) | |
3NKS
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![BU of 3nks by Molmil](/molmil-images/mine/3nks) | Structure of human protoporphyrinogen IX oxidase | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Shen, Y. | Deposit date: | 2010-06-21 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into human variegate porphyria disease Faseb J., 25, 2011
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4NX2
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![BU of 4nx2 by Molmil](/molmil-images/mine/4nx2) | Crystal structure of DCYRS complexed with DCY | Descriptor: | 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase | Authors: | Wang, J, Gong, W, Li, J, Gao, F, Li, H. | Deposit date: | 2013-12-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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4NXE
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![BU of 4nxe by Molmil](/molmil-images/mine/4nxe) | Crystal structure of iLOV-I486(2LT) at pH 6.5 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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4NXG
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![BU of 4nxg by Molmil](/molmil-images/mine/4nxg) | Crystal structure of iLOV-I486z(2LT) at pH 9.0 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Liu, X, Li, J. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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4NXB
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![BU of 4nxb by Molmil](/molmil-images/mine/4nxb) | Crystal structure of iLOV-I486(2LT) at pH 7.0 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Wang, J, Li, J, Liu, X. | Deposit date: | 2013-12-09 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.561 Å) | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers. J.Am.Chem.Soc., 136, 2014
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5YU9
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![BU of 5yu9 by Molmil](/molmil-images/mine/5yu9) | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
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