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8Q3T
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BU of 8q3t by Molmil
HsNMT1 in complex with both MyrCoA and GNCFSKPRVPTK inhibitor peptide
Descriptor: CHLORIDE ION, COENZYME A, GLYCEROL, ...
Authors:Dian, C, Giglione, C, Meinnel, T.
Deposit date:2023-08-04
Release date:2024-08-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:HsNMT1 in complex with both MyrCoA and GNCFSKPR inhibitor peptide
to be published
7M5C
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BU of 7m5c by Molmil
Crystal Structure of human BAK in complex with WT BAK BH3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, COPPER (II) ION, SULFATE ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
8TBR
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BU of 8tbr by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758
Descriptor: 3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-29
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758
To be published
7OJC
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BU of 7ojc by Molmil
SaFtsZ(Q48A) complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-14
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7OMQ
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BU of 7omq by Molmil
SaFtsZ complexed with GDPPCP and Mn2+
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, MANGANESE (II) ION, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-24
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7MRM
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BU of 7mrm by Molmil
Chicken CNTN3 APP complex
Descriptor: Fusion protein of Chicken CNTN3 FN1-FN2 domains and Amyloid-beta A4 protein,Amyloid-beta A4 protein, SULFATE ION
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7XQX
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BU of 7xqx by Molmil
Crystal structure of T2R-TTL-27a complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ...
Authors:Lun, T, Wu, C.Y.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Crystal structure of T2R-TT complex
To Be Published
8TA0
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BU of 8ta0 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881
Descriptor: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-26
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881
To be published
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
Descriptor: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7UDA
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BU of 7uda by Molmil
Structure of the EstG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-03-18
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
8QFT
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BU of 8qft by Molmil
X-ray structure of non-toxic non-hemagglutinin (NTNH) protein from botulinum neurotoxin serotype X
Descriptor: non-toxic non-hemagglutinin protein X
Authors:Skerlova, J, Masuyer, G, Stenmark, P.
Deposit date:2023-09-04
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Activity of botulinum neurotoxin X and its structure when shielded by a non-toxic non-hemagglutinin protein.
Commun Chem, 7, 2024
5TJ4
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BU of 5tj4 by Molmil
Gasdermin-B C-terminal domain containing the polymorphism residues Gly299:Pro306 fused to maltose binding protein
Descriptor: SODIUM ION, Sugar ABC transporter substrate-binding protein,Gasdermin-B fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Chao, L.K, Herzberg, O.
Deposit date:2016-10-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Gene polymorphism linked to increased asthma and IBD risk alters gasdermin-B structure, a sulfatide and phosphoinositide binding protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7OY5
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BU of 7oy5 by Molmil
Crystal structure of GSK3Beta in complex with ARN25068
Descriptor: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
Authors:Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
7MRN
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BU of 7mrn by Molmil
Mouse CNTN5 APP complex
Descriptor: Contactin-5, N-APP
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7OLY
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BU of 7oly by Molmil
Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ...
Authors:Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L.
Deposit date:2021-05-20
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.265 Å)
Cite:Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
7UVN
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BU of 7uvn by Molmil
Crystal structure of human ClpP protease in complex with TR-57
Descriptor: 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2022-05-02
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
6MA1
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BU of 6ma1 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a
Descriptor: Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
5TOA
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BU of 5toa by Molmil
Crystal Structure of ER beta bound to Estradiol
Descriptor: ESTRADIOL, Estrogen receptor beta
Authors:Textor, L, Nascimento, A.S, Polikarpov, I.
Deposit date:2016-10-17
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position.
Sci Rep, 7, 2017
7OI2
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BU of 7oi2 by Molmil
SaFtsz complexed with GDP (NaCl purification)
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu Morales, J.M.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7XQY
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BU of 7xqy by Molmil
Crystal structure of T2R-TTL-15 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine, CALCIUM ION, ...
Authors:Lun, T, ChengYong, W.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of T2R-TTL-15 complex
To Be Published
7UDF
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BU of 7udf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid
Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-03-18
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
8TQN
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BU of 8tqn by Molmil
Crystal Structure of a MES bound Substrate Binding Protein (IseP) from an Isethionate TRAP Transporter
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Isethionate-binding periplasmic protein DctP
Authors:Newton-Vesty, M.C, Dobson, R.C.J.
Deposit date:2023-08-08
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of an isethionate substrate-binding protein (IseP) bound to isethionate
To Be Published
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
5TKF
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BU of 5tkf by Molmil
Neurospora crassa polysaccharide monooxygenase 2 high mannosylation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineered Pichia pastoris for X-ray and neutron diffraction.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7MRZ
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BU of 7mrz by Molmil
Structure of GDF11 bound to fused ActRIIB-ECD and Alk4-ECD with Anti-ActRIIB Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B,Activin receptor type-1B, Fab Heavy Chain, ...
Authors:Goebel, E.J, Kattamuri, C, Gipson, G.R, Thompson, T.B.
Deposit date:2021-05-10
Release date:2022-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022

226707

數據於2024-10-30公開中

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