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5W2C
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BU of 5w2c by Molmil
Structure of human DNA polymerase kappa in complex with Lucidin-derived DNA adduct and incoming dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Jha, V.K, Ling, H.
Deposit date:2017-06-06
Release date:2017-10-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Error-Free DNA Replication Past Lucidin-Derived DNA Damage by Human DNA Polymerase kappa.
Chem. Res. Toxicol., 30, 2017
5W2A
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BU of 5w2a by Molmil
Structure of human DNA polymerase kappa in complex with Lucidin-derived DNA adduct and incoming dCMPNPP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*TP*GP*(LDG)P*CP*TP*GP*AP*TP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*TP*CP*AP*G)-3'), ...
Authors:Jha, V.K, Ling, H.
Deposit date:2017-06-06
Release date:2017-10-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism of Error-Free DNA Replication Past Lucidin-Derived DNA Damage by Human DNA Polymerase kappa.
Chem. Res. Toxicol., 30, 2017
6H22
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BU of 6h22 by Molmil
Crystal structure of Mdm2 bound to a stapled peptide
Descriptor: 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide
Authors:Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
Deposit date:2018-07-12
Release date:2019-07-31
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
7W6A
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BU of 7w6a by Molmil
Crystal structure of the MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L complex
Descriptor: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhao, L, Li, Y, Chen, Y.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
7W6I
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BU of 7w6i by Molmil
The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me1 peptide
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ...
Authors:Zhao, L, Li, Y, Chen, Y.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
7W6J
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BU of 7w6j by Molmil
The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me2 peptide
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ...
Authors:Zhao, L, Li, Y, Chen, Y.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
7W67
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BU of 7w67 by Molmil
The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me0 peptide
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ...
Authors:Zhao, L, Li, Y, Chen, Y.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
7W6L
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BU of 7w6l by Molmil
The crystal structure of MLL3-RBBP5-ASH2L in complex with H3K4me0 peptide
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, ...
Authors:Zhao, L, Li, Y, Chen, Y.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
6NZN
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BU of 6nzn by Molmil
Dimer-of-dimer amyloid fibril structure of glucagon
Descriptor: Glucagon
Authors:Gelenter, M.D, Smith, K.J, Liao, S.Y, Mandala, V.S, Dregni, A.J, Lamm, M.S, Tian, Y, Wei, X, Pochan, D.J, Tucker, T.J, Su, Y, Hong, M.
Deposit date:2019-02-14
Release date:2019-06-05
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations.
Nat.Struct.Mol.Biol., 26, 2019
6PTZ
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BU of 6ptz by Molmil
Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide
Descriptor: Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
Deposit date:2019-07-16
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
6PU0
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BU of 6pu0 by Molmil
Pigeon Cryptochrome4 bound to flavin adenine dinucleotide
Descriptor: 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ...
Authors:Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
Deposit date:2019-07-16
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8979 Å)
Cite:Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
4R82
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BU of 4r82 by Molmil
Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-08-29
Release date:2014-10-01
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.659 Å)
Cite:Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016
4IKG
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BU of 4ikg by Molmil
Crystal structure of cell death-inducing DFFA-like effector c
Descriptor: Cell death activator CIDE-3, IODIDE ION
Authors:Yang, M, Gao, J.
Deposit date:2012-12-26
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9318 Å)
Cite:Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
Descriptor: Nanobody Nb4, Spike protein S1
Authors:Wang, H.Y, Xu, W.Q.
Deposit date:2023-07-16
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
Deposit date:2020-01-26
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-01-21
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-03-04
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
4FF5
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BU of 4ff5 by Molmil
Structure basis of a novel virulence factor GHIP a glycosyl hydrolase 25 of Streptococcus pneumoniae participating in host cell invasion
Descriptor: 1,2-ETHANEDIOL, Glycosyl hydrolase 25
Authors:Wang, D.
Deposit date:2012-05-31
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of the novel S. pneumoniae virulence factor, GHIP, a glycosyl hydrolase 25 participating in host-cell invasion.
Plos One, 8, 2013
8JVE
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BU of 8jve by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
Descriptor: 1,2-ETHANEDIOL, 1-(3-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-28
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
8JVL
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BU of 8jvl by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-28
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
1OP0
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BU of 1op0 by Molmil
Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase
Authors:Zhu, Z, Teng, M, Niu, L.
Deposit date:2003-03-04
Release date:2004-05-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
1OP2
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BU of 1op2 by Molmil
Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase
Authors:Zhu, Z, Teng, M, Niu, L.
Deposit date:2003-03-04
Release date:2004-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
Descriptor: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022

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