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6XM8
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BU of 6xm8 by Molmil
Crystal structure of lignostilbene bound to Co-LSD4 from Sphingobium sp. strain SYK-6
分子名称: COBALT (II) ION, DIMETHYL SULFOXIDE, Dioxygenase, ...
著者Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
登録日2020-06-29
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
7SJK
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BU of 7sjk by Molmil
Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
分子名称: CALCIUM ION, Pls Plasmin sensitive surface protein
著者Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-18
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
7SMH
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BU of 7smh by Molmil
Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G
著者Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-25
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
6G7B
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BU of 6g7b by Molmil
Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila.
分子名称: ImpA-related domain protein
著者Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-04-05
公開日2018-11-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
9CPH
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BU of 9cph by Molmil
Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation
分子名称: Bcl-2 homologous antagonist/killer, Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic antibody, ...
著者Uchikawa, E, Myasnikov, A, Dey, R, Moldoveanu, T.
登録日2024-07-18
公開日2025-06-04
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis of BAK sequestration by MCL-1 in apoptosis.
Mol.Cell, 85, 2025
6N61
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BU of 6n61 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ...
著者Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
登録日2018-11-24
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8HAF
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BU of 8haf by Molmil
PTHrP-PTH1R-Gs complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, L, Xu, H.E, Yuan, Q.
登録日2022-10-26
公開日2022-12-21
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
8HA0
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BU of 8ha0 by Molmil
Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, L, Xu, H.E, Yuan, Q.
登録日2022-10-26
公開日2022-12-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
8HAO
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BU of 8hao by Molmil
Human parathyroid hormone receptor-1 dimer
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha, ...
著者Zhao, L, Xu, H.E, Yuan, Q.
登録日2022-10-26
公開日2022-12-21
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
8BUB
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BU of 8bub by Molmil
Structure of DDB1 bound to dCeMM4-engaged CDK12-cyclin K
分子名称: CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUQ
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BU of 8buq by Molmil
Structure of DDB1 bound to DS43-engaged CDK12-cyclin K
分子名称: (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ...
著者Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUC
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BU of 8buc by Molmil
Structure of DDB1 bound to dCeMM3-engaged CDK12-cyclin K
分子名称: 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ...
著者Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUD
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BU of 8bud by Molmil
Structure of DDB1 bound to Z7-engaged CDK12-cyclin K
分子名称: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
3E8Q
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BU of 3e8q by Molmil
X-ray structure of rat arginase I-T135A: the unliganded complex
分子名称: Arginase-1, MANGANESE (II) ION
著者Shishova, E.Y, Di Costanzo, L, Emig, F.A, Ash, D.E, Christianson, D.W.
登録日2008-08-20
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
8BUT
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BU of 8but by Molmil
Structure of DDB1 bound to DS61-engaged CDK12-cyclin K
分子名称: 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
著者Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8JN3
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BU of 8jn3 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 37 deg C (subparticle LLR-LRR)
分子名称: Envelope protein, Human antibody DENV-115 heavy chain, Human antibody DENV-115 light chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN5
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BU of 8jn5 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 37 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN4
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BU of 8jn4 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 4 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN2
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BU of 8jn2 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 4 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-115 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
6NO3
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BU of 6no3 by Molmil
ADP bound to V113bL mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NCN
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BU of 6ncn by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
分子名称: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
著者Jakob, C.G, Qiu, W.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
7B0Y
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BU of 7b0y by Molmil
Structure of a transcribing RNA polymerase II-U1 snRNP complex
分子名称: 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ...
著者Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P.
登録日2020-11-23
公開日2021-01-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of a transcribing RNA polymerase II-U1 snRNP complex.
Science, 371, 2021
8T02
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BU of 8t02 by Molmil
Reconstituted E. coli RNA polymerase post-termination complex on negatively-supercoiled DNA: unwinding duplex DNA (rPTCi)
分子名称: DNA (25-MER), DNA (26-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Brewer, J.J, Darst, S.A, Campbell, E.A.
登録日2023-05-31
公開日2025-04-02
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献RapA opens the RNA polymerase clamp to disrupt post-termination complexes and prevent cytotoxic R-loop formation.
Nat.Struct.Mol.Biol., 32, 2025

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件を2025-07-09に公開中

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