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8Z61
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BU of 8z61 by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 67, 2024
8WBL
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BU of 8wbl by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] complexed with sulfate ions
Descriptor: Epoxide hydrolase, SULFATE ION
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
9BRA
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BU of 9bra by Molmil
Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles
Descriptor: Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ...
Authors:Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
Deposit date:2024-05-11
Release date:2024-06-19
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
8WIZ
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BU of 8wiz by Molmil
cryo-EM structure of alligator haemoglobin in deoxy form
Descriptor: BICARBONATE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
8VQW
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BU of 8vqw by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, COENZYME A, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA bound)
To be published
9CWL
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BU of 9cwl by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia (monoclinic P Form)
Descriptor: Outer membrane lipocarrier LolA family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-07-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia (monoclinic P Form)
To be published
9CPL
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BU of 9cpl by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase 1, fused to the 2TEL crystallization chaperone via a 2-glycine linker
Descriptor: 2TEL/Non-receptor tyrosine-protein kinase TNK1 fusion protein, FORMIC ACID
Authors:Samarawickrama, P, Averett, J, Doukov, T, Moody, J.D.
Deposit date:2024-07-18
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1TEL Fusions Outperform 2TEL and 3TEL Fusions in Controlled Comparisons
To Be Published
9F1S
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BU of 9f1s by Molmil
Structure of UP1 S4ES6E phosphomimetic mutant
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of UP1 S4ES6E phosphomimetic mutant
To Be Published
8WQC
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BU of 8wqc by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CDK5R1
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WTX
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BU of 8wtx by Molmil
Cryo-EM structure of noradrenaline transporter in complex with bupropion
Descriptor: (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one, Sodium-dependent noradrenaline transporter
Authors:Zhao, Y, Hu, T, Yu, Z.
Deposit date:2023-10-19
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Transport and inhibition mechanisms of the human noradrenaline transporter.
Nature, 2024
8YC0
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BU of 8yc0 by Molmil
T cell receptor V delta2 V gamma9 in GDN
Descriptor: CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
Authors:Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2024-02-17
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
9EPY
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BU of 9epy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
8VXE
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BU of 8vxe by Molmil
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
Descriptor: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14
Authors:Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A.
Deposit date:2024-02-04
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
9ENJ
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BU of 9enj by Molmil
L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-glutamate
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLUTAMIC ACID, L-amino acid oxidase 4, ...
Authors:Gilzer, D, Koopmeiners, S, Fischer von Mollard, G, Niemann, H.H.
Deposit date:2024-03-13
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and enzyme engineering of the broad substrate spectrum L-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum
to be published
8W2L
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BU of 8w2l by Molmil
TRPM7 structure in complex with anticancer agent CCT128930 in closed state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ...
Authors:Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2024-02-20
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930.
Cell Rep, 43, 2024
8VD9
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BU of 8vd9 by Molmil
Crystal structure of Bacillus subtilis FabHA, beta-ketoacyl carrier protein synthase III
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
8W0D
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BU of 8w0d by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
To be published
8VTN
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BU of 8vtn by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-nitrophenylalanine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Tran, K, Mathews, I, Boxer, S.G.
Deposit date:2024-01-26
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-nitrophenylalanine
To Be Published
9F9K
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BU of 9f9k by Molmil
Crystal structure of MUS81-EME1 bound by compound 15.
Descriptor: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
Authors:Collie, G.W.
Deposit date:2024-05-07
Release date:2024-07-03
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8VDB
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BU of 8vdb by Molmil
Crystal structure of Bacillus subtilis FabHB, beta-ketoacyl carrier protein synthase III
Descriptor: Beta-ketoacyl-[acyl-carrier-protein] synthase III 2, GLYCEROL
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
9GAW
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BU of 9gaw by Molmil
High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D.
Deposit date:2024-07-29
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
8VII
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BU of 8vii by Molmil
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine
Descriptor: 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ...
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2024-01-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Structure, 2024
8W15
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BU of 8w15 by Molmil
HTT in complex with HAP40 in the apo state.
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Poweleit, N, Boudet, J, Doherty, E.
Deposit date:2024-02-15
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex
To Be Published
9AZZ
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BU of 9azz by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia ruminantium
Descriptor: GLYCEROL, Outer membrane lipoprotein carrier protein LolA, TETRAETHYLENE GLYCOL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-11
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia ruminantium
To be published
8WJ0
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BU of 8wj0 by Molmil
cryo-EM structure of human haemoglobin in carbonmonoxy form
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024

224004

건을2024-08-21부터공개중

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