7RWI
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![BU of 7rwi by Molmil](/molmil-images/mine/7rwi) | Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | Descriptor: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Ebright, R.H. | Deposit date: | 2021-08-19 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens. J.Med.Chem., 65, 2022
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6IMK
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![BU of 6imk by Molmil](/molmil-images/mine/6imk) | The crystal structure of AsfvLIG:CG complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMN
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![BU of 6imn by Molmil](/molmil-images/mine/6imn) | The crystal structure of AsfvLIG:CT2 complex | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IML
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![BU of 6iml by Molmil](/molmil-images/mine/6iml) | The crystal structure of AsfvLIG:CT1 complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMJ
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![BU of 6imj by Molmil](/molmil-images/mine/6imj) | The crystal structure of Se-AsfvLIG:DNA complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6O9D
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![BU of 6o9d by Molmil](/molmil-images/mine/6o9d) | Structure of the IRAK4 kinase domain with compound 5 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O8U
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![BU of 6o8u by Molmil](/molmil-images/mine/6o8u) | Crystal structure of IRAK4 in complex with compound 23 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | Deposit date: | 2019-03-12 | Release date: | 2019-05-22 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O95
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![BU of 6o95 by Molmil](/molmil-images/mine/6o95) | Structure of the IRAK4 kinase domain with compound 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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3B9L
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![BU of 3b9l by Molmil](/molmil-images/mine/3b9l) | Human serum albumin complexed with myristate and AZT | Descriptor: | 3'-azido-3'-deoxythymidine, MYRISTIC ACID, Serum albumin | Authors: | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | Deposit date: | 2007-11-05 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography J.Struct.Biol., 162, 2008
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6O94
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![BU of 6o94 by Molmil](/molmil-images/mine/6o94) | Structure of the IRAK4 kinase domain with compound 17 | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6LQC
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![BU of 6lqc by Molmil](/molmil-images/mine/6lqc) | Crystal structure of Cyclohexylamine Oxidase from Erythrobacteraceae bacterium | Descriptor: | Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Huang, Z.D. | Deposit date: | 2020-01-13 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight. J.Org.Chem., 85, 2020
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6LQL
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![BU of 6lql by Molmil](/molmil-images/mine/6lql) | Complex structure of CHAO with product from Erythrobacteraceae bacterium | Descriptor: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Huang, Z.D. | Deposit date: | 2020-01-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight. J.Org.Chem., 85, 2020
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6BIH
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![BU of 6bih by Molmil](/molmil-images/mine/6bih) | The Structure of the Actin-Smooth Muscle Myosin Motor Domain Complex in the Rigor State | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Taylor, K.A, Banerjee, C, Hu, Z. | Deposit date: | 2017-11-02 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | The structure of the actin-smooth muscle myosin motor domain complex in the rigor state. J. Struct. Biol., 200, 2017
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3B9M
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![BU of 3b9m by Molmil](/molmil-images/mine/3b9m) | Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, 3'-azido-3'-deoxythymidine, MYRISTIC ACID, ... | Authors: | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | Deposit date: | 2007-11-05 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography J.Struct.Biol., 162, 2008
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4R5S
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![BU of 4r5s by Molmil](/molmil-images/mine/4r5s) | Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3 | Descriptor: | Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide | Authors: | Zhu, S.J, Yun, C.H. | Deposit date: | 2014-08-22 | Release date: | 2014-11-12 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
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7VFU
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![BU of 7vfu by Molmil](/molmil-images/mine/7vfu) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFV
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![BU of 7vfv by Molmil](/molmil-images/mine/7vfv) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFW
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![BU of 7vfw by Molmil](/molmil-images/mine/7vfw) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFS
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![BU of 7vfs by Molmil](/molmil-images/mine/7vfs) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VX1
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![BU of 7vx1 by Molmil](/molmil-images/mine/7vx1) | SARS-CoV-2 Beta variant spike protein in open state | Descriptor: | Spike glycoprotein | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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7VX9
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![BU of 7vx9 by Molmil](/molmil-images/mine/7vx9) | SARS-CoV-2 Kappa variant spike protein in complex wth ACE2, state C1 | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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7VXA
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![BU of 7vxa by Molmil](/molmil-images/mine/7vxa) | SARS-CoV-2 Kappa variant spike protein in complex with ACE2, state C2a | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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7VX5
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![BU of 7vx5 by Molmil](/molmil-images/mine/7vx5) | ACE2-RBD in SARS-CoV-2 Kappa variant S-ACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-12-01 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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7VXD
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![BU of 7vxd by Molmil](/molmil-images/mine/7vxd) | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C1 state | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-12-01 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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7VX4
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![BU of 7vx4 by Molmil](/molmil-images/mine/7vx4) | ACE2-RBD in SARS-CoV-2 Beta variant S-ACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-11-12 | Release date: | 2021-12-01 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
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