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7D96
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BU of 7d96 by Molmil
Crystal structure of D110G mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Aggarwal, R, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D97
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BU of 7d97 by Molmil
Crystal structure of N109P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kavya, J, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D95
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BU of 7d95 by Molmil
Crystal structure of acivicin-bound GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kumar, S, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
8SXI
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BU of 8sxi by Molmil
CH505 Disulfide Stapled SOSIP Bound to b12 Fab
Descriptor: Envelope glycoprotein gp160, HIV-1 gp41, b12 Heavy Chain, ...
Authors:Henderson, R.
Deposit date:2023-05-22
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: CH235.12 Heavy Chain, CH235.12 Light Chain, Envelope glycoprotein gp160, ...
Authors:Henderson, R.
Deposit date:2023-05-22
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: Fumarate hydratase
Authors:Bellur, A, Jayaraman, V, Balaram, H.
Deposit date:2022-04-20
Release date:2023-02-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10
Authors:Harris, S.F, Wu, P.
Deposit date:2023-02-10
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
Descriptor: RETINAL, Xanthorhodopsin, Zeaxanthin
Authors:Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
Deposit date:2023-01-15
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2 Å)
Cite: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
Descriptor: D-XYLOSE ISOMERASE, D-xylose, MAGNESIUM ION
Authors:Janin, J.
Deposit date:1992-04-03
Release date:1993-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ranaivoson, F.M, Beaumont, E.
Deposit date:2023-09-18
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.675 Å)
Cite: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
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
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
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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BU of 7pse by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
Descriptor: (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, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-10-18
Release date:2022-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: D-XYLOSE ISOMERASE
Authors:Janin, J.
Deposit date:1992-04-03
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
7MBO
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BU of 7mbo by Molmil
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
Authors:Sheriff, S.
Deposit date:2021-04-01
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.924 Å)
Cite: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)
Descriptor: Myeloid differentiation primary response protein MyD88
Authors: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.
Deposit date:2020-12-24
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Myeloid differentiation primary response protein MyD88
Authors: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.
Deposit date:2020-12-24
Release date:2021-03-10
Last modified:2024-01-31
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ...
Authors:Kogan, K, Kotila, T.
Deposit date:2023-01-02
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ...
Authors:Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
Deposit date:2022-07-07
Release date:2022-12-07
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
8DL8
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BU of 8dl8 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc
Descriptor: 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ...
Authors:Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
Deposit date:2022-07-07
Release date:2022-12-07
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: 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
Authors:Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G.
Deposit date:2021-07-08
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022

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