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3T34
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BU of 3t34 by Molmil
Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state
Descriptor: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
Deposit date:2011-07-24
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
7YKF
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BU of 7ykf by Molmil
Crystal structure of MAGI2 PDZ0-GK/pEphexin4 complex
Descriptor: Ephexin4, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKI
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BU of 7yki by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR3 peptide
Descriptor: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKG
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BU of 7ykg by Molmil
Crystal structure of MAGI2 PDZ0-GK/pSGEF complex
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, SGEF
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKH
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BU of 7ykh by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR2 peptide
Descriptor: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
3V45
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BU of 3v45 by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130
Descriptor: CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55
Authors:Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-14
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
8AGF
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BU of 8agf by Molmil
Crystal structure of human Thiosulfate sulfurtransferase amino acids 2-297
Descriptor: Thiosulfate sulfurtransferase
Authors:Goor, H.v, Grove, M.R, AL-Dahmani, Z.m.
Deposit date:2022-07-19
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human Thiosulfate sulfurtransferase
To Be Published
3U3E
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BU of 3u3e by Molmil
Complex of Wild Type Myoglobin with Phenol in its Proximal Cavity
Descriptor: Myoglobin, PHENOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Celeste, L.R, Lebioda, L.
Deposit date:2011-10-05
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
3TP4
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BU of 3tp4 by Molmil
Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-07
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
8TB2
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BU of 8tb2 by Molmil
Structure of SasG (type II) (residues 165-421) from Staphylococcus aureus MW2
Descriptor: CALCIUM ION, Putative surface protein MW2416, SODIUM ION, ...
Authors:Maciag, J.J, Herr, A.B.
Deposit date:2023-06-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Staphylococcus aureus skin colonization is mediated by SasG lectin variation.
Cell Rep, 43, 2024
8UFY
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BU of 8ufy by Molmil
High Resolution structure of A. viridans Lactate Oxidase
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, L-lactate oxidase, ...
Authors:Lodowski, D.T.
Deposit date:2023-10-05
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An engineered lactate oxidase based electrochemical sensor for continuous detection of biomarker lactic acid in human sweat and serum.
Heliyon, 10, 2024
2MT8
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BU of 2mt8 by Molmil
Solution structure MTAbl13, a grafted MCoTI-II
Descriptor: MTAbl13 of grafted MCoTI-II
Authors:Huang, Y, Wang, C, Craik, D.
Deposit date:2014-08-15
Release date:2015-10-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Design of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold.
Sci Rep, 5, 2015
8XKF
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BU of 8xkf by Molmil
Crystal structure of Helicobacter pylori IspDF with substrate CTP
Descriptor: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
Authors:Chen, X, Wu, D.
Deposit date:2023-12-23
Release date:2024-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XKG
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BU of 8xkg by Molmil
Crystal structure of Acinetobacter baumannii IspD
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL
Authors:Chen, X, Wu, D.
Deposit date:2023-12-23
Release date:2024-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XHU
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BU of 8xhu by Molmil
Crystal structure of Helicobacter pylori IspDF
Descriptor: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
Authors:Chen, X, Wu, D.
Deposit date:2023-12-18
Release date:2024-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
2OLA
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BU of 2ola by Molmil
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form
Descriptor: O-succinylbenzoic acid synthetase
Authors:Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-18
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2JTC
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BU of 2jtc by Molmil
3D structure and backbone dynamics of SPE B
Descriptor: Streptopain
Authors:Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P.
Deposit date:2007-07-26
Release date:2008-08-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
2OZT
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BU of 2ozt by Molmil
Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1
Descriptor: PHOSPHATE ION, SODIUM ION, Tlr1174 protein
Authors:Malashkevich, V.N, Bonanno, J, Toro, R, Sauder, J.M, Schwinn, K.D, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2020-08-28
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7JNT
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BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-05
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-09-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021

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