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6OMV
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BU of 6omv by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4-DNA complex
分子名称: AcrVA4, Cpf1, DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*AP*GP*GP*A)-3'), ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-04-19
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6QBJ
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BU of 6qbj by Molmil
Structure determination of transmembrane- C-terminal fragment of UL49.5 protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
分子名称: Envelope glycoprotein N
著者Karska, N, Rodziewicz-Motowidlo, S.
登録日2018-12-21
公開日2019-02-27
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics.
Biochim Biophys Acta Biomembr, 1861, 2019
6OWD
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BU of 6owd by Molmil
Arginine Containing Reengineered Coiled-Coiled Dimer to Examine the Impact of Proximal Cation Identity on Hydrophobically-Driven Assembly
分子名称: CHLORIDE ION, R+7
著者Biok, N.A, Bingman, C.A, Gellman, S.H.
登録日2019-05-09
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Retention of Coiled-Coil Dimer Formation in the Absence of Ion Pairing at Positions Flanking the Hydrophobic Core.
Biochemistry, 58, 2019
6OKE
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BU of 6oke by Molmil
Crystal structure of an apo Transferrin-Receptor-Binding cystine-dense peptide
分子名称: Transferrin-Receptor Binding Peptide
著者Rupert, P.B, Strong, R.K.
登録日2019-04-12
公開日2020-04-15
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
6O9B
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BU of 6o9b by Molmil
Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Miller, M.S, Gabelli, S.B.
登録日2019-03-13
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
6OKD
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BU of 6okd by Molmil
Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Finton, K.A.K, Rupert, P.B, Strong, R.K.
登録日2019-04-12
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
分子名称: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者Wilce, M.C.J, Cini, D.
登録日2019-05-01
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published
6QIP
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BU of 6qip by Molmil
Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the albumin-biniding side chain of the human growth hormone derivative somapacitan
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Beta-2-microglobulin, ...
著者Johansson, E.
登録日2019-01-21
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
登録日2011-02-02
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
1AKX
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BU of 1akx by Molmil
HIV-2 TRANS ACTIVATING REGION RNA COMPLEX WITH ARGININAMIDE, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: ARGININE, TAR RNA
著者Brodsky, A.S, Williamson, J.R.
登録日1997-05-27
公開日1997-11-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the HIV-2 TAR-argininamide complex.
J.Mol.Biol., 267, 1997
1AJU
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BU of 1aju by Molmil
HIV-2 TAR-ARGININAMIDE COMPLEX, NMR, 20 STRUCTURES
分子名称: ARGININE, TAR RNA
著者Brodsky, A.S, Williamson, J.R.
登録日1997-05-10
公開日1997-12-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the HIV-2 TAR-argininamide complex.
J.Mol.Biol., 267, 1997
7MQS
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BU of 7mqs by Molmil
The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation
分子名称: Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQO
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BU of 7mqo by Molmil
The insulin receptor ectodomain in complex with a venom hybrid insulin analog - "head" region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, ...
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQR
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BU of 7mqr by Molmil
The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-29
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8T48
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BU of 8t48 by Molmil
The N4BP1 CUE-like domain in complex with linear di-Ubiquitin
分子名称: Di-Ubiquitin, GLYCEROL, LITHIUM ION, ...
著者Schubert, A.F, Harris, S.F.
登録日2023-06-08
公開日2024-03-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N4BP1 coordinates ubiquitin-dependent crosstalk within the I kappa B kinase family to limit Toll-like receptor signaling and inflammation.
Immunity, 57, 2024
8TR4
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BU of 8tr4 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-09
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8TQG
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BU of 8tqg by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
分子名称: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-08
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8TRY
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BU of 8try by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
分子名称: N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-10
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8UH4
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BU of 8uh4 by Molmil
Cryo-EM structure of Maize Streak Virus (MSV) - single head Geminivirus
分子名称: Capsid protein, genomic DNA
著者Bennett, A.B, McKenna, R, Mietzsch, M, Hull, J.A.
登録日2023-10-06
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献The Two States of MSV Gemini Capsid Assembly
To Be Published
3ZK8
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BU of 3zk8 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZK9
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BU of 3zk9 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
8UKE
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BU of 8uke by Molmil
Crystal Structure of Norbelladine O-methyltransferase variant in complex with SAH
分子名称: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Kim, W, Zhang, Y.J.
登録日2023-10-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Nat Commun, 15, 2024

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