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7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYO
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The structure of GdmN
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
6JBW
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BU of 6jbw by Molmil
Structure of Tps1/UDP complex
Descriptor: Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, S, Zhao, Y, Wang, D, Liu, J.
Deposit date:2019-01-26
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7K2U
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BU of 7k2u by Molmil
DHODH IN COMPLEX WITH LIGAND 13
Descriptor: 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2020-09-09
Release date:2020-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
4JYV
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BU of 4jyv by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
Descriptor: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
Descriptor: MANGANESE (II) ION, PppA
Authors:Wang, T, Liu, L, Wu, Y, Li, D.
Deposit date:2019-03-02
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
7CKA
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BU of 7cka by Molmil
The structure of Glycine max (Soybean) Heme oxygenase 1
Descriptor: CITRIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tohda, R, Tanaka, H, Kurisu, G.
Deposit date:2020-07-16
Release date:2020-12-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Crystal structure of higher plant heme oxygenase-1 and its mechanism of interaction with ferredoxin.
J.Biol.Chem., 296, 2020
6JWB
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BU of 6jwb by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-04-19
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
7LC3
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BU of 7lc3 by Molmil
CryoEM Structure of KdpFABC in E1-ATP state
Descriptor: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
Deposit date:2021-01-09
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LC6
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BU of 7lc6 by Molmil
Cryo-EM Structure of KdpFABC in E2-P state with BeF3
Descriptor: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
Deposit date:2021-01-09
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
Descriptor: Nanobody Nb-007, Spike protein S1
Authors:Yang, J, Lin, S, Sun, H.L, Lu, G.W.
Deposit date:2021-11-20
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
6K9W
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BU of 6k9w by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-06-18
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
Descriptor: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
6JUG
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BU of 6jug by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-04-13
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
7FEF
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BU of 7fef by Molmil
Crystal structure of AtMBD6 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6
Authors:Wu, Z.B, Liu, K, Min, J.R.
Deposit date:2021-07-19
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
7FEO
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BU of 7feo by Molmil
Crystal structure of AtMBD5 MBD domain
Descriptor: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
Authors:Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2021-07-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
Descriptor: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
Descriptor: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQB
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BU of 7vqb by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022

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数据于2024-07-10公开中

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