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7AQJ
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BU of 7aqj by Molmil
Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate.
Descriptor: 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate
Authors:Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-22
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AOL
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BU of 7aol by Molmil
Structure of SARS-CoV-2 Main Protease bound to Climbazole
Descriptor: (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7YXU
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BU of 7yxu by Molmil
Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.
Descriptor: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ...
Authors:Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L.
Deposit date:2022-02-16
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
7D5Z
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BU of 7d5z by Molmil
Crystal structure of EBV gH/gL bound with neutralizing antibody 1D8
Descriptor: Envelope glycoprotein H, Envelope glycoprotein L, heavy chain of 1D8, ...
Authors:Zhu, Q, Shan, S, Yu, J, Wang, X, Zhang, L, Zeng, M.
Deposit date:2020-09-28
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:A Neutralizing Antibody Targeting a New Site of Vulnerability on Epstein-Barr Virus gH/gL Protects against Dual-Tropic Infection
To Be Published
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
Descriptor: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
Authors:Gong, Y.C, Rao, Z.H, Zhang, L.
Deposit date:2023-02-17
Release date:2023-05-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8H4Q
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BU of 8h4q by Molmil
Aspergillomarasmine A biosynthese complex with OPS
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Rhodanese domain-containing protein
Authors:Lu, M, Zhang, J, Wang, Z, Han, L.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspergillomarasmine A biosynthese complex with OPS
To Be Published
8H4H
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BU of 8h4h by Molmil
The apo structure of Aspergillomarasmine A synthetase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Rhodanese domain-containing protein
Authors:Lu, M, Zhang, J, Wang, Z, Han, L.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The apo structure of Aspergillomarasmine A synthetase at 2.3 Angstroms resolution
To Be Published
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
7CUQ
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BU of 7cuq by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-24
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUB
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BU of 7cub by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-22
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUW
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BU of 7cuw by Molmil
Ubiquinol Binding Site of Cytochrome bo3 from Escherichia coli
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-25
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
4ZA1
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BU of 4za1 by Molmil
Crystal Structure of NosA Involved in Nosiheptide Biosynthesis
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA
Authors:Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C.
Deposit date:2015-04-13
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis
Sci Rep, 5, 2015
5BOF
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BU of 5bof by Molmil
Crystal Structure of Staphylococcus aureus Enolase
Descriptor: Enolase, MAGNESIUM ION, SULFATE ION
Authors:Wu, Y.F, Wang, C.L, Wu, M.H, Han, L, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate.
Acta Crystallogr.,Sect.D, 71, 2015
5BOE
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BU of 5boe by Molmil
Crystal structure of Staphylococcus aureus enolase in complex with PEP
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Wang, C.L, Wu, Y.F, Han, L, Wu, M.H, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate
Acta Crystallogr.,Sect.D, 71, 2015
2FXZ
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BU of 2fxz by Molmil
Solution structure of 97-109 segment of staphylococcal nuclease
Descriptor: 13-mer peptide from Thermonuclease
Authors:Wang, M, Shan, L, Wang, J.F.
Deposit date:2006-02-07
Release date:2006-12-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation
Biopolymers, 83, 2006
2FXY
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BU of 2fxy by Molmil
Solution structure of 55-72 segment of staphylococcal nuclease
Descriptor: 18-mer peptide from Thermonuclease
Authors:Wang, M, Shan, L, Wang, J.F.
Deposit date:2006-02-07
Release date:2006-12-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation
Biopolymers, 83, 2006
5XJX
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BU of 5xjx by Molmil
Pre-formed plant receptor ERL1-TMM complex
Descriptor: LRR receptor-like serine/threonine-protein kinase ERL1, Protein TOO MANY MOUTHS
Authors:Chai, J, Lin, G, Zhang, L, Han, Z, Yang, X, Liu, W, Qi, Y, Chang, J, Li, E.
Deposit date:2017-05-04
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.055 Å)
Cite:A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
5XJO
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BU of 5xjo by Molmil
Plant receptor ERL1-TMM in complex with peptide EPF1
Descriptor: LRR receptor-like serine/threonine-protein kinase ERL1, Protein EPIDERMAL PATTERNING FACTOR 1, Protein TOO MANY MOUTHS
Authors:Chai, J, Lin, G, Zhang, L, Han, Z, Shpak, E.D, Yang, X.
Deposit date:2017-05-03
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.626 Å)
Cite:A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
8JI8
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BU of 8ji8 by Molmil
Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ...
Authors:Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
Deposit date:2023-05-26
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mosquitoes have evolved two types of prophenoloxidases
To Be Published
8JIB
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BU of 8jib by Molmil
Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor
Authors:Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
Deposit date:2023-05-26
Release date:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mosquitoes have evolved two types of prophenoloxidases
To Be Published
6M54
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BU of 6m54 by Molmil
Human apo ferritin frozen on TEM grid with Amorphous nickel titanium alloy supporting film
Descriptor: FE (II) ION, Ferritin heavy chain
Authors:Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F.
Deposit date:2020-03-09
Release date:2020-05-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation.
Prog.Biophys.Mol.Biol., 156, 2020
5B5K
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BU of 5b5k by Molmil
Crystal structure of Izumo1, the mammalian sperm ligand for egg Juno
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Izumo sperm-egg fusion protein 1
Authors:Nishimura, K, Han, L, De Sanctis, D, Jovine, L.
Deposit date:2016-05-11
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of sperm Izumo1 reveals unexpected similarities with Plasmodium invasion proteins.
Curr.Biol., 26, 2016
6WYF
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BU of 6wyf by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020

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