8ITE
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6M0K
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![BU of 6m0k by Molmil](/molmil-images/mine/6m0k) | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | Deposit date: | 2020-02-22 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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7CYV
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![BU of 7cyv by Molmil](/molmil-images/mine/7cyv) | Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD) | Descriptor: | Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D. | Deposit date: | 2020-09-04 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody. Embo Mol Med, 13, 2021
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5WS2
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![BU of 5ws2 by Molmil](/molmil-images/mine/5ws2) | Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, complex with RNA | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*A)-3'), Ribonuclease J, SULFATE ION, ... | Authors: | Li, D.F, Feng, N. | Deposit date: | 2016-12-05 | Release date: | 2017-12-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | New molecular insights into an archaeal RNase J reveal a conserved processive exoribonucleolysis mechanism of the RNase J family Mol. Microbiol., 106, 2017
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7SEG
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![BU of 7seg by Molmil](/molmil-images/mine/7seg) | Crystal structure of the complex of CD16A bound by an anti-CD16A Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Kiefer, J.R, Wallweber, H.A, Polson, A.G. | Deposit date: | 2021-09-30 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.156 Å) | Cite: | A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma. Leukemia, 36, 2022
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6LOI
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![BU of 6loi by Molmil](/molmil-images/mine/6loi) | |
6LRB
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![BU of 6lrb by Molmil](/molmil-images/mine/6lrb) | |
4FWE
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![BU of 4fwe by Molmil](/molmil-images/mine/4fwe) | Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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4FWF
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![BU of 4fwf by Molmil](/molmil-images/mine/4fwf) | Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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8IHO
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![BU of 8iho by Molmil](/molmil-images/mine/8iho) | Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors | Descriptor: | Papain-like protease nsp3, ZINC ION, covalent inhibitor | Authors: | Wang, Q, Hu, H, Li, M, Xu, Y. | Deposit date: | 2023-02-23 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease. Int J Mol Sci, 24, 2023
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8IJA
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![BU of 8ija by Molmil](/molmil-images/mine/8ija) | Cryo-EM structure of human HCAR2-Gi complex with niacin | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-26 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJD
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![BU of 8ijd by Molmil](/molmil-images/mine/8ijd) | Cryo-EM structure of human HCAR2-Gi complex with MK-6892 | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJ3
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![BU of 8ij3 by Molmil](/molmil-images/mine/8ij3) | Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-24 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJB
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![BU of 8ijb by Molmil](/molmil-images/mine/8ijb) | Cryo-EM structure of human HCAR2-Gi complex with acipimox | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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7SCD
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![BU of 7scd by Molmil](/molmil-images/mine/7scd) | Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5 | Authors: | Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C. | Deposit date: | 2021-09-27 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate Acs Catalysis, 11, 2021
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7SCE
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![BU of 7sce by Molmil](/molmil-images/mine/7sce) | Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5 | Authors: | Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C. | Deposit date: | 2021-09-27 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate Acs Catalysis, 11, 2021
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7DNC
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![BU of 7dnc by Molmil](/molmil-images/mine/7dnc) | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7DL0
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![BU of 7dl0 by Molmil](/molmil-images/mine/7dl0) | The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH | Descriptor: | 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL7
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![BU of 7dl7 by Molmil](/molmil-images/mine/7dl7) | The wild-type structure of 3,5-DAHDHcca | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-26 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.30065823 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL1
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![BU of 7dl1 by Molmil](/molmil-images/mine/7dl1) | The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL3
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![BU of 7dl3 by Molmil](/molmil-images/mine/7dl3) | The structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84606934 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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5HJM
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![BU of 5hjm by Molmil](/molmil-images/mine/5hjm) | Crystal Structure of Pyrococcus abyssi Trm5a complexed with MTA | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, HOMOSERINE LACTONE, ... | Authors: | Xie, W, Wang, C, Jia, Q. | Deposit date: | 2016-01-13 | Release date: | 2016-10-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Crystal structures of the bifunctional tRNA methyltransferase Trm5a Sci Rep, 6, 2016
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8IP4
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![BU of 8ip4 by Molmil](/molmil-images/mine/8ip4) | Cryo-EM structure of hMRS-highEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP5
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![BU of 8ip5 by Molmil](/molmil-images/mine/8ip5) | Cryo-EM structure of hMRS2-lowEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP6
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![BU of 8ip6 by Molmil](/molmil-images/mine/8ip6) | Cryo-EM structure of hMRS2-rest | Descriptor: | CHLORIDE ION, Magnesium transporter MRS2 homolog, mitochondrial | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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