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7Q24
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Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6O56
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BU of 6o56 by Molmil
HNH Nuclease from S. pyogenes Cas9
分子名称: CRISPR-associated endonuclease Cas9/Csn1
著者Newton, J.C, Lisi, G.P, Jogl, G.
登録日2019-03-01
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics.
J.Am.Chem.Soc., 142, 2020
7NP1
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BU of 7np1 by Molmil
Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ...
著者Hall, G, Cowan, R, Carr, M.
登録日2021-02-26
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses.
Front Immunol, 12, 2021
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
7YS8
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BU of 7ys8 by Molmil
Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) from Mycobacterium tuberculosis
分子名称: ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yadav, S, Bhatia, I, Biswal, B.K.
登録日2022-08-11
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) from Mycobacterium tuberculosis
To Be Published
6KU3
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BU of 6ku3 by Molmil
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice
分子名称: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
著者Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
登録日2019-08-30
公開日2020-05-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
4UDS
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BU of 4uds by Molmil
Crystal structure of MbdR regulator from Azoarcus sp. CIB
分子名称: MBDR REGULATOR
著者Liu, H, Liu, H.X, MacMahon, S.A, Juarez, J.F, Zamarro, M.T, Eberlein, C, Boll, M, Carmona, M, Diaz, E, Naismith, J.H.
登録日2014-12-11
公開日2014-12-24
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Unraveling the Specific Regulation of the Mbd Central Pathway for the Anaerobic Degradation of 3-Methylbenzoate.
J.Biol.Chem., 290, 2015
1ISG
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BU of 1isg by Molmil
Crystal Structure Analysis of BST-1/CD157 with ATPgammaS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, bone marrow stromal cell antigen 1
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
6LKG
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BU of 6lkg by Molmil
two-component system protein mediate signal transduction
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ABC transporter, solute-binding protein, ...
著者Wang, M, Tao, Y.
登録日2019-12-19
公開日2020-12-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Interface switch mediates signal transmission in a two-component system.
Proc.Natl.Acad.Sci.USA, 117, 2020
4WIF
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BU of 4wif by Molmil
Crystal structure of E47Q mutant cytidine deaminase from Mycobacterium tuberculosis (MtCDA E47Q)
分子名称: Cytidine deaminase, ZINC ION
著者Trivella, D.B, Sanchez-Quitian, A.Z, Basso, L.A, Santos, D.S.
登録日2014-09-25
公開日2015-09-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of E47Q mutant cytidine deaminase from Mycobacterium tuberculosis (MtCDA E47Q)
Rsc Adv, 2015
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-08-05
公開日2023-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
8ESV
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BU of 8esv by Molmil
Structure of human ADAM10-Tspan15 complex bound to 11G2 vFab
分子名称: 11G2 Fab Heavy Chain, 11G2 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lipper, C.H, Blacklow, S.C.
登録日2022-10-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for membrane-proximal proteolysis of substrates by ADAM10.
Cell, 186, 2023
6OMK
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BU of 6omk by Molmil
Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA
分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-04-18
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA
To Be Published
6KVY
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BU of 6kvy by Molmil
The structure of EanB/T414A complex with hercynine
分子名称: CHLORIDE ION, MAGNESIUM ION, N,N,N-trimethyl-histidine, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-09-05
公開日2020-09-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structure of EanB/T414A complex with hercynine
To Be Published
5E9U
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BU of 5e9u by Molmil
Crystal structure of GtfA/B complex bound to UDP and GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, ...
著者Chen, Y, Rapoport, T.A.
登録日2015-10-15
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
6OMQ
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BU of 6omq by Molmil
Crystal structure of PtmU3 complexed with PTM substrate
分子名称: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
著者Liu, Y.C, Dong, L.B, Shen, B.
登録日2019-04-19
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
7PXP
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BU of 7pxp by Molmil
Benzoylsuccinyl-CoA thiolase
分子名称: Benzoylsuccinyl-CoA thiolase subunit, ZINC ION
著者Ermler, U, Heider, H, Weidenweber, S, Demmer, U.
登録日2021-10-08
公開日2022-04-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022
2RHP
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BU of 2rhp by Molmil
The Thrombospondin-1 Polymorphism Asn700Ser Associated with Cornoary Artery Disease Causes Local and Long-Ranging Changes in Protein Structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Carlson, C.B, Keck, J.L, Mosher, D.F.
登録日2007-10-09
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Influences of the N700S Thrombospondin-1 Polymorphism on Protein Structure and Stability.
J.Biol.Chem., 283, 2008
4HJZ
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BU of 4hjz by Molmil
1.9 A Crystal structure of E. coli MltE-E64Q with bound chitopentaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Fibriansah, G, Gliubich, F.I, Thunnissen, A.-M.W.H.
登録日2012-10-14
公開日2012-10-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 51, 2012
6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
分子名称: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-09-25
公開日2019-10-16
最終更新日2021-01-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
2RJQ
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BU of 2rjq by Molmil
Crystal structure of ADAMTS5 with inhibitor bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ...
著者Mosyak, L, Stahl, M, Somers, W.
登録日2007-10-15
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
6OB2
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BU of 6ob2 by Molmil
Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
分子名称: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2019-03-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6L3T
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BU of 6l3t by Molmil
Human Cx31.3/GJC3 connexin hemichannel in the absence of calcium
分子名称: Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol
著者Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S.
登録日2019-10-15
公開日2020-09-09
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.34 Å)
主引用文献Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020

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