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7SI7
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BU of 7si7 by Molmil
Structure of ATP7B in state 2
Descriptor: MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION
Authors:Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P.
Deposit date:2021-10-12
Release date:2022-03-16
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of the Wilson disease copper transporter ATP7B.
Sci Adv, 8, 2022
7SI3
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BU of 7si3 by Molmil
Consensus structure of ATP7B
Descriptor: MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION
Authors:Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P.
Deposit date:2021-10-12
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure of the Wilson disease copper transporter ATP7B.
Sci Adv, 8, 2022
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELQ
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BU of 8elq by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8TR4
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BU of 8tr4 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
Descriptor: 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
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-09
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-07
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-08
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-10
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
7YTB
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BU of 7ytb by Molmil
Crystal structure of Kin4B8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL
Authors:Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
Deposit date:2022-08-14
Release date:2023-03-15
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
8EI9
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BU of 8ei9 by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H332, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H332, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI8
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BU of 8ei8 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H308, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, H308, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI1
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BU of 8ei1 by Molmil
Crystal structure of the N-terminal domain of CUL4B in complex with H316, a Helicon Polypeptide
Descriptor: Cullin-4B, H316, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI7
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BU of 8ei7 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI2
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BU of 8ei2 by Molmil
Crystal structure of the N-terminal domain of CUL5 in complex with H314, a Helicon Polypeptide
Descriptor: Cullin-5, H314, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EIC
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BU of 8eic by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H330, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H330, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EIB
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BU of 8eib by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H329, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H329, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EHZ
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BU of 8ehz by Molmil
Crystal structure of the STUB1 TPR domain in complex with H317, a Helicon Polypeptide
Descriptor: E3 ubiquitin-protein ligase CHIP, H317, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI0
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BU of 8ei0 by Molmil
Crystal structure of the STUB1 TPR domain in complex with H318, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, H318, ...
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI3
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BU of 8ei3 by Molmil
Crystal structure of VHL in complex with H313, a Helicon Polypeptide
Descriptor: Elongin-B, Elongin-C, H313, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI6
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BU of 8ei6 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H305, a Helicon Polypeptide
Descriptor: H305, N,N'-(1,4-phenylene)diacetamide, NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023

223790

數據於2024-08-14公開中

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