3DPF
 
 | | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | | Authors: | Pochetti, G, Montanari, R, Mazza, F. | | Deposit date: | 2008-07-08 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
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6M2L
 | | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | | Descriptor: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1 | | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | | Deposit date: | 2020-02-27 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
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6M20
 | | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose | | Descriptor: | Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside | | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
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2VR1
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2VQD
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2VPQ
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2Y1R
 | | Structure of MecA121 & ClpC N-domain complex | | Descriptor: | ADAPTER PROTEIN MECA 1, NEGATIVE REGULATOR OF GENETIC COMPETENCE CLPC/MECB, S,R MESO-TARTARIC ACID | | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Structure and Mechanism of the Hexameric Meca-Clpc Molecular Machine.
Nature, 471, 2011
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2Y1Q
 | | Crystal Structure of ClpC N-terminal Domain | | Descriptor: | NEGATIVE REGULATOR OF GENETIC COMPETENCE CLPC/MECB, SULFATE ION | | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and Mechanism of the Hexameric Meca-Clpc Molecular Machine.
Nature, 471, 2011
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7YI4
 | | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state | | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI2
 | | Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI3
 | | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI1
 | | Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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3PXG
 | | Structure of MecA121 and ClpC1-485 complex | | Descriptor: | Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB | | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | | Deposit date: | 2010-12-09 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.654 Å) | | Cite: | Structure and mechanism of the hexameric MecA-ClpC molecular machine.
Nature, 471, 2011
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2J9G
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6VQL
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7UZN
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
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6H6V
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3JCO
 | | Structure of yeast 26S proteasome in M1 state derived from Titan dataset | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6H6X
 | | Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with prFMN | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2018-07-30 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
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3L1L
 | | Structure of Arg-bound Escherichia coli AdiC | | Descriptor: | ARGININE, Arginine/agmatine antiporter, nonyl beta-D-glucopyranoside | | Authors: | Gao, X, Zhou, L, Shi, Y. | | Deposit date: | 2009-12-13 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Mechanism of substrate recognition and transport by an amino acid antiporter
Nature, 463, 2010
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5QTZ
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE | | Descriptor: | 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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5QU0
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE | | Descriptor: | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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6AZV
 | | IDO1/BMS-978587 crystal structure | | Descriptor: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lewis, H.A. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.755 Å) | | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AZW
 | | IDO1/FXB-001116 crystal structure | | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CND
 | | Yeast RNA polymerase III natural open complex (nOC) | | Descriptor: | DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Han, Y, He, Y. | | Deposit date: | 2018-03-08 | | Release date: | 2018-08-22 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
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