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7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (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, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CRISPR-associated endonuclease Cas9/Csn1
Authors:Newton, J.C, Lisi, G.P, Jogl, G.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ...
Authors:Hall, G, Cowan, R, Carr, M.
Deposit date:2021-02-26
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yadav, S, Bhatia, I, Biswal, B.K.
Deposit date:2022-08-11
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
Authors:Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
Deposit date:2019-08-30
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: MBDR REGULATOR
Authors: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.
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: 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
Authors:Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
Deposit date:2001-12-05
Release date:2002-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ABC transporter, solute-binding protein, ...
Authors:Wang, M, Tao, Y.
Deposit date:2019-12-19
Release date:2020-12-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.948 Å)
Cite: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)
Descriptor: Cytidine deaminase, ZINC ION
Authors:Trivella, D.B, Sanchez-Quitian, A.Z, Basso, L.A, Santos, D.S.
Deposit date:2014-09-25
Release date:2015-09-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-08-05
Release date:2023-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 11G2 Fab Heavy Chain, 11G2 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lipper, C.H, Blacklow, S.C.
Deposit date:2022-10-14
Release date:2023-06-14
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-04-18
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, N,N,N-trimethyl-histidine, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, ...
Authors:Chen, Y, Rapoport, T.A.
Deposit date:2015-10-15
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.84 Å)
Cite: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
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: Benzoylsuccinyl-CoA thiolase subunit, ZINC ION
Authors:Ermler, U, Heider, H, Weidenweber, S, Demmer, U.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Carlson, C.B, Keck, J.L, Mosher, D.F.
Deposit date:2007-10-09
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Fibriansah, G, Gliubich, F.I, Thunnissen, A.-M.W.H.
Deposit date:2012-10-14
Release date:2012-10-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: 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, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2019-03-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.845 Å)
Cite: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
Descriptor: Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol
Authors:Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S.
Deposit date:2019-10-15
Release date:2020-09-09
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020

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