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5CTN
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BU of 5ctn by Molmil
Structure of BPu1 beta-lactamase
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
5DVP
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BU of 5dvp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-21
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5YL3
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BU of 5yl3 by Molmil
Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5
分子名称: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
著者Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T.
登録日2017-10-17
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.
J. Am. Chem. Soc., 139, 2017
6PXX
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BU of 6pxx by Molmil
Class D beta-lactamase in complex with beta-lactam antibiotic
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2019-07-28
公開日2019-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019
3IQA
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BU of 3iqa by Molmil
Crystal Structure of BlaC covalently bound with Doripenem
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2009-08-19
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3ISG
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BU of 3isg by Molmil
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1
著者Powers, R.A.
登録日2009-08-25
公開日2009-12-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
分子名称: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
著者Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
登録日2019-07-22
公開日2020-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
3WJM
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BU of 3wjm by Molmil
Crystal structure of Bombyx mori Sp2/Sp3 heterohexamer
分子名称: Arylphorin, Silkworm storage protein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yuan, Y.A, Hou, Y.
登録日2013-10-11
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Bombyx mori arylphorins reveals a 3:3 heterohexamer with multiple papain cleavage sites
Protein Sci., 23, 2014
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
著者Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
登録日2016-04-19
公開日2016-10-26
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
1N4K
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BU of 1n4k by Molmil
Crystal structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with IP3
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
著者Bosanac, I, Alattia, J.R, Mal, T.K, Chan, J, Talarico, S, Tong, F.K, Tong, K.I, Yoshikawa, F, Furuichi, T, Iwai, M, Michikawa, T, Mikoshiba, K, Ikura, M.
登録日2002-10-31
公開日2002-12-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with its ligand.
Nature, 420, 2002
2K87
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BU of 2k87 by Molmil
NMR STRUCTURE OF A PUTATIVE RNA BINDING PROTEIN (SARS1) FROM SARS CORONAVIRUS
分子名称: Non-structural protein 3 of Replicase polyprotein 1a
著者Serrano, P, Wuthrich, K, Johnson, M.A, Chatterjee, A, Wilson, I, Pedrini, B.F, Joint Center for Structural Genomics (JCSG)
登録日2008-09-02
公開日2008-09-16
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of the nucleic acid-binding domain of severe acute respiratory syndrome coronavirus nonstructural protein 3.
J.Virol., 83, 2009
3T8S
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BU of 3t8s by Molmil
Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
著者Lin, C, Baek, K, Lu, Z.
登録日2011-08-01
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor.
Nat.Struct.Mol.Biol., 18, 2011
2WCT
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BU of 2wct by Molmil
human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
4GUA
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BU of 4gua by Molmil
Alphavirus P23pro-zbd
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ...
著者Shin, G, Yost, S, Miller, M, Marcotrigiano, J.
登録日2012-08-29
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structural and functional insights into alphavirus polyprotein processing and pathogenesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
9AZX
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BU of 9azx by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr
分子名称: Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate
著者Wallace, S.D, Bagde, S.R, Fromme, J.C.
登録日2024-03-11
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains.
Acs Chem.Biol., 19, 2024
7XN4
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BU of 7xn4 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with NAD+
分子名称: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN6
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BU of 7xn6 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN5
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BU of 7xn5 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
5NRL
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BU of 5nrl by Molmil
Structure of a pre-catalytic spliceosome.
分子名称: 13 kDa ribonucleoprotein-associated protein, 23 kDa U4/U6.U5 small nuclear ribonucleoprotein component, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, ...
著者Plaschka, C, Lin, P.-C, Nagai, K.
登録日2017-04-24
公開日2017-05-31
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Structure of a pre-catalytic spliceosome.
Nature, 546, 2017
8CB3
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SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3
著者Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP)
登録日2023-01-25
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
To Be Published
5UTV
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BU of 5utv by Molmil
SARS-unique fold in the Rousettus Bat Coronavirus HKU9
分子名称: Papain-like proteinase
著者Hammond, R.G, Tan, X, Johnson, M.A.
登録日2017-02-15
公開日2017-06-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献SARS-unique fold in the Rousettus bat coronavirus HKU9.
Protein Sci., 26, 2017
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
分子名称: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
著者Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
登録日2022-05-20
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
8FWN
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Crystal structure of SARS-CoV-2 papain-like protease C111S mutant
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E.
登録日2023-01-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease C111S mutant
To Be Published
8HDA
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BU of 8hda by Molmil
Crystal structure of Ubl1 (residues 18-111) of SARS-CoV-2
分子名称: Papain-like protease nsp3
著者Ni, X.C, Lei, J.
登録日2022-11-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of Ubl1 (residues 18-111) of SARS-CoV-2
To Be Published
2N1U
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Structure of SAP30L corepressor protein
分子名称: Histone deacetylase complex subunit SAP30L, ZINC ION
著者Tossavainen, H, Permi, P.
登録日2015-04-23
公開日2015-11-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Redox-dependent disulfide bond formation in SAP30L corepressor protein: Implications for structure and function.
Protein Sci., 25, 2016

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