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6C6Z
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BU of 6c6z by Molmil
Crystal structure of potent neutralizing antibody CDC2-C2 in complex with MERS-CoV S1 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CDC2-C2 heavy chain, Antibody CDC2-C2 light chain, ...
Authors:Wang, N, McLellan, J.S.
Deposit date:2018-01-19
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
4TLW
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BU of 4tlw by Molmil
CARDS TOXIN, FULL-LENGTH
Descriptor: ADP-ribosylating toxin CARDS
Authors:Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J.
Deposit date:2014-05-30
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
5V1X
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BU of 5v1x by Molmil
Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate
Descriptor: (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
Authors:Irani, S, Zhang, Y.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.558 Å)
Cite:Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
4TLV
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BU of 4tlv by Molmil
CARDS TOXIN, NICKED
Descriptor: ACETATE ION, ADP-ribosylating toxin CARDS, GLYCEROL, ...
Authors:Taylor, A.B, Pakhomova, O.N, Hart, P.J.
Deposit date:2014-05-30
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
7CH0
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BU of 7ch0 by Molmil
The overall structure of the MlaFEDB complex in ATP-bound EQclose conformation (Mutation of E170Q on MlaF)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ...
Authors:Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y.
Deposit date:2020-07-03
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4IZ9
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BU of 4iz9 by Molmil
Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese
Descriptor: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-29
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
Descriptor: C-S Lyase Egt2, FORMIC ACID
Authors:Irani, S, Zhang, Y.
Deposit date:2017-02-15
Release date:2018-02-21
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
4GK6
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BU of 4gk6 by Molmil
X-ray crystal structure of a hypothetical deoxyuridine 5-triphosphate nucleotidohydrolase from Mycobacterium abscessus
Descriptor: CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-10
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HDT
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BU of 4hdt by Molmil
Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile
Descriptor: 3-hydroxyisobutyryl-CoA hydrolase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-10-02
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4Q9Z
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BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
5V12
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BU of 5v12 by Molmil
Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate
Descriptor: (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
Authors:Irani, S, Zhang, Y.
Deposit date:2017-03-01
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Musayev, F.N.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
6DJ7
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BU of 6dj7 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand)
Descriptor: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
Deposit date:2018-05-24
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4I88
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BU of 4i88 by Molmil
R107G HSP16.5
Descriptor: Small heat shock protein HSP16.5
Authors:Pohl, E, Williamson, I.R, Quinlan, R.A.
Deposit date:2012-12-03
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Changes in the quaternary structure and function of MjHSP16.5 attributable to deletion of the IXI motif and introduction of the substitution, R107G, in the alpha-crystallin domain.
PHILOS.TRANS.R.SOC.LOND.B BIOL.SCI., 368, 2013
4I1Y
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BU of 4i1y by Molmil
The structure of Cysteine synthase from Mycobacterium ulcerans Agy99
Descriptor: CHLORIDE ION, Cysteine synthase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-11-21
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4IJN
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BU of 4ijn by Molmil
Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-12-21
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4EJF
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BU of 4ejf by Molmil
Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
Descriptor: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
Authors:Murray, J.M.
Deposit date:2012-04-06
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6465 Å)
Cite:Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
4J5I
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BU of 4j5i by Molmil
Crystal structure of an alpha-ketoglutarate-dependent taurine dioxygenase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent taurine dioxygenase, FE (III) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-08
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
8G9S
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BU of 8g9s by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: AcrIC8, Cas11, Cas5, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
8G9T
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BU of 8g9t by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: AcrIC9, Cas11, Cas5, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
8G9U
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BU of 8g9u by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: CRISPR-associated protein, Csd1 family, Csd2 family, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
8GAF
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BU of 8gaf by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: Cas11, Cas5, Cas7, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
8GAM
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BU of 8gam by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: Cas11, Cas5, Cas7, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-23
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024

224572

数据于2024-09-04公开中

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