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7D96
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Crystal structure of D110G mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A
著者Bellur, A, Dongre, A, Aggarwal, R, Balaram, H.
登録日2020-10-12
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D97
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Crystal structure of N109P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A
著者Bellur, A, Dongre, A, Kavya, J, Balaram, H.
登録日2020-10-12
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D95
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Crystal structure of acivicin-bound GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A
著者Bellur, A, Dongre, A, Kumar, S, Balaram, H.
登録日2020-10-12
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
8SXI
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CH505 Disulfide Stapled SOSIP Bound to b12 Fab
分子名称: Envelope glycoprotein gp160, HIV-1 gp41, b12 Heavy Chain, ...
著者Henderson, R.
登録日2023-05-22
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
8SXJ
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BU of 8sxj by Molmil
CH505 Disulfide Stapled SOSIP Bound to CH235.12 Fab
分子名称: CH235.12 Heavy Chain, CH235.12 Light Chain, Envelope glycoprotein gp160, ...
著者Henderson, R.
登録日2023-05-22
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
7XKY
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BU of 7xky by Molmil
Crystal structure of Methanocaldococcus jannaschii two-subunit Fumarate hydratase apo-protein complex
分子名称: Fumarate hydratase
著者Bellur, A, Jayaraman, V, Balaram, H.
登録日2022-04-20
公開日2023-02-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin.
Biochemistry, 62, 2023
8G4Y
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BU of 8g4y by Molmil
Structure of ZNRF3 ECD bound to peptide MK1-3.6.10
分子名称: E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10
著者Harris, S.F, Wu, P.
登録日2023-02-10
公開日2023-12-20
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth.
Cell Chem Biol, 31, 2024
8I2Z
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BU of 8i2z by Molmil
Cryo-EM structure of the zeaxanthin-bound kin4B8
分子名称: RETINAL, Xanthorhodopsin, Zeaxanthin
著者Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
登録日2023-01-15
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
6XIM
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BU of 6xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
分子名称: D-XYLOSE ISOMERASE, D-xylose, MAGNESIUM ION
著者Janin, J.
登録日1992-04-03
公開日1993-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
8QL0
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BU of 8ql0 by Molmil
Structure of human PAD6 Phosphomimic mutant V10E/S446E, apo
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ranaivoson, F.M, Beaumont, E.
登録日2023-09-18
公開日2024-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Crystal structure of human peptidylarginine deiminase type VI (PAD6) provides insights into its inactivity.
Iucrj, 11, 2024
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
7YTB
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BU of 7ytb by Molmil
Crystal structure of Kin4B8
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL
著者Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
登録日2022-08-14
公開日2023-03-15
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSE
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Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-10-18
公開日2022-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7XIM
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BU of 7xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
分子名称: D-XYLOSE ISOMERASE
著者Janin, J.
登録日1992-04-03
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
7MBO
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FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
7BER
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BU of 7ber by Molmil
SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly)
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
7BEQ
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BU of 7beq by Molmil
MicroED structure of the MyD88 TIR domain higher-order assembly
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法ELECTRON CRYSTALLOGRAPHY (3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
8C47
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BU of 8c47 by Molmil
Leishmania ATP-actin monomer in complex with Leishmania profilin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ...
著者Kogan, K, Kotila, T.
登録日2023-01-02
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Leishmania profilin interacts with actin through an unusual structural mechanism to control cytoskeletal dynamics in parasites.
J.Biol.Chem., 300, 2024
8DL7
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BU of 8dl7 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ...
著者Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
登録日2022-07-07
公開日2022-12-07
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
8DL8
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Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc
分子名称: 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ...
著者Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
登録日2022-07-07
公開日2022-12-07
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
7P3V
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BU of 7p3v by Molmil
B-Raf V600E structure bound to a new inhibitor
分子名称: Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
著者Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G.
登録日2021-07-08
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022

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