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8XXA
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BU of 8xxa by Molmil
Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains in complex with branched pentasaccharide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Tonozuka, T.
Deposit date:2024-01-18
Release date:2024-02-07
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus.
Proteins, 92, 2024
8W0H
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BU of 8w0h by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
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 (2.95 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
To be published
8V9Q
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BU of 8v9q by Molmil
Crystal structure of mGalNAc-T1 in complex with the mucin glycopeptide Muc5AC-13, Mn2+, and UDP.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Samara, N.L, Collette, A.M.
Deposit date:2023-12-08
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:An unusual dual sugar-binding lectin domain controls the substrate specificity of a mucin-type O-glycosyltransferase.
Sci Adv, 10, 2024
8X3S
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BU of 8x3s by Molmil
Crystal structure of human WDR5 in complex with PTEN
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5
Authors:Liu, Y, Huang, X, Shang, X.
Deposit date:2023-11-14
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
8UK6
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BU of 8uk6 by Molmil
Candida albicans glutaminyl tRNA synthetase (GLN4) in complex with N-pyrimidinyl-beta-thiophenylacrylamide
Descriptor: (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide, ZINC ION, glutamine--tRNA ligase
Authors:Sychantha, D, Wright, G.D.
Deposit date:2023-10-12
Release date:2024-03-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-beta-thiophenylacrylamides exerts highly selective antifungal activity.
Cell Chem Biol, 31, 2024
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2023-11-06
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
9EQ0
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BU of 9eq0 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide
Authors:Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
To Be Published
8VEK
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IsPETase - ACC mutant
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8WFE
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BU of 8wfe by Molmil
The Crystal Structure of PPARg from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma
Authors:Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of PPARg from Biortus.
To Be Published
8WT1
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BU of 8wt1 by Molmil
Crystal structure of S9 carboxypeptidase from Geobacillus sterothermophilus
Descriptor: ALANINE, CITRATE ANION, GLYCEROL, ...
Authors:Chandravanshi, K, Kumar, A, Sen, C, Singh, R, Bhange, G.B, Makde, R.D.
Deposit date:2023-10-17
Release date:2024-03-13
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity.
Febs Lett., 598, 2024
8V9P
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BU of 8v9p by Molmil
Proteus vulgaris tryptophan indole-lyase complexed with (3S)-dioxindolyl-L-alanine
Descriptor: (2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2023-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
To Be Published
8UFO
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BU of 8ufo by Molmil
Crystal Structure of Gastrointestinal HAstV VA1 capsid spike domain at 1.46 A resolution
Descriptor: Capsid polyprotein VP90
Authors:Ghosh, A, DuBois, R.M.
Deposit date:2023-10-04
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024
8UCT
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BU of 8uct by Molmil
Crystal structure of TcPINK1 in complex with PRT
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, SULFATE ION, ...
Authors:Veyron, S, Rasool, S, Trempe, J.F.
Deposit date:2023-09-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Characterization of a new family of PINK1 inhibitors
To Be Published
9FDD
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BU of 9fdd by Molmil
The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine
Descriptor: HTH-type transcriptional regulator CysB, N-ACETYL-SERINE
Authors:Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J.
Deposit date:2024-05-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of CysB from Klebsiella aerogenes Bound to the Inducer, N-acetylserine
To Be Published
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
Descriptor: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8WFR
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BU of 8wfr by Molmil
The Crystal Structure of PCSK9 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
Deposit date:2023-09-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of PCSK9 from Biortus.
To Be Published
8YHV
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BU of 8yhv by Molmil
Structure of the VP40 from Biortus.
Descriptor: Matrix protein VP40
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-02-28
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the VP40 from Biortus.
To Be Published
8VL0
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BU of 8vl0 by Molmil
The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
Descriptor: 4-(2-oxopropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2024-01-11
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
To Be Published
8XHA
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BU of 8xha by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate
Descriptor: 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE
Authors:Xu, M.J, Zhang, D.K.
Deposit date:2023-12-17
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-02
Release date:2024-03-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
8ZMM
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BU of 8zmm by Molmil
Structure of a triple-helix region of human Collagen type IV from Trautec
Descriptor: collagen type IV
Authors:Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
Deposit date:2024-05-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human Collagen type IV from Trautec
To Be Published
8UZN
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BU of 8uzn by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
Descriptor: ADENOSINE MONOPHOSPHATE, Betaine aldehyde dehydrogenase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
To be published
8WU8
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BU of 8wu8 by Molmil
Crystal structure of the human RAD9-RAD1(F64A/M256A/F266A)-HUS1-RHINO(88-99) complex
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ...
Authors:Hara, K, Nagata, K, Iida, N, Hashimoto, H.
Deposit date:2023-10-20
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for intra- and intermolecular interactions on RAD9 subunit of 9-1-1 checkpoint clamp implies functional 9-1-1 regulation by RHINO.
J.Biol.Chem., 300, 2024

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PDB entries from 2024-07-17

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