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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
Descriptor: COBALT (II) ION, DIMETHYL SULFOXIDE, Dioxygenase, ...
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: CALCIUM ION, Pls Plasmin sensitive surface protein
Authors:Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-18
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.208 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G
Authors:Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-25
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: ImpA-related domain protein
Authors: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.
Deposit date:2018-04-05
Release date:2018-11-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: Bcl-2 homologous antagonist/killer, Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic antibody, ...
Authors:Uchikawa, E, Myasnikov, A, Dey, R, Moldoveanu, T.
Deposit date:2024-07-18
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-24
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.253 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite: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
Descriptor: CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.42 Å)
Cite: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
Descriptor: (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, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.85 Å)
Cite: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
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Shishova, E.Y, Di Costanzo, L, Emig, F.A, Ash, D.E, Christianson, D.W.
Deposit date:2008-08-20
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite: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)
Descriptor: Envelope protein, Human antibody DENV-115 heavy chain, Human antibody DENV-115 light chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-115 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite: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)
Descriptor: 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, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.483 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.939 Å)
Cite: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
Descriptor: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
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)
Descriptor: DNA (25-MER), DNA (26-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Brewer, J.J, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-31
Release date:2025-04-02
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:RapA opens the RNA polymerase clamp to disrupt post-termination complexes and prevent cytotoxic R-loop formation.
Nat.Struct.Mol.Biol., 32, 2025
7B0Y
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BU of 7b0y by Molmil
Structure of a transcribing RNA polymerase II-U1 snRNP complex
Descriptor: 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ...
Authors:Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P.
Deposit date:2020-11-23
Release date:2021-01-13
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of a transcribing RNA polymerase II-U1 snRNP complex.
Science, 371, 2021

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数据于2025-07-09公开中

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