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9BEM
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BU of 9bem by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with seven Tungstates bound
Descriptor: Molybdenum-pterin-binding protein, SULFATE ION, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
8PMK
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BU of 8pmk by Molmil
Cryo-EM structure of active Phthaloyl-CoA decarboxylase (Pcd) complex with prFMN bound
Descriptor: FE (III) ION, POTASSIUM ION, Phthaloyl-CoA decarboxylase, ...
Authors:Kayastha, K, Ermler, U.
Deposit date:2023-06-28
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Active Pcd complex with prFMN bound
To Be Published
9BEB
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BU of 9beb by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight Tungstates bound
Descriptor: Molybdenum-pterin binding domain-containing protein, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
9BJF
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BU of 9bjf by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum in apo form
Descriptor: Molybdenum-pterin binding domain-containing protein, SULFATE ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-25
Release date:2024-09-04
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
9BKA
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BU of 9bka by Molmil
Crystal structure of Rid family protein PSPTO3006
Descriptor: Rid family protein PSPTO3006
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of Rid family protein PSPTO3006
To Be Published
9BKB
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BU of 9bkb by Molmil
Crystal structure of Rid family protein ACIAD3089 from Acinetobacter baylyi
Descriptor: Rid family protein ACIAD3089
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Rid family protein ACIAD3089 from Acinetobacter baylyi
To Be Published
9BJV
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BU of 9bjv by Molmil
Crystal structure of hypothetical protein PA5083 from Pseudomonas aeruginosa Sulfur SAD phased
Descriptor: RidA family protein PA5083
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-25
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Rid protein PA5083 from Pseudomonas aeruginosa (Apo form) solved by Sulfur SAD
To Be Published
9BK4
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BU of 9bk4 by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound
Descriptor: PYRUVIC ACID, RidA family protein PA5083, SULFATE ION
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound
To Be Published
9BKH
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BU of 9bkh by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound
Descriptor: ACETYL GROUP, RidA family protein PA5083
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with Acetaldehyde bound
To Be Published
5QBW
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BU of 5qbw by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: Cathepsin S, N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
9BED
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BU of 9bed by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with eight molybdates bound
Descriptor: MOLYBDATE ION, Molybdenum-pterin-binding protein
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
9BK1
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BU of 9bk1 by Molmil
Crystal structure of Endoribonuclease L-PSP family protein PSPTO0102 Sulfur SAD phased
Descriptor: L-PSP family protein PSPTO_0102
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of Endoribonuclease L-PSP family protein PSPTO0102 Sulfur SAD phased
To Be Published
9BK8
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BU of 9bk8 by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with 2-ketobutyric acid bound
Descriptor: 2-KETOBUTYRIC ACID, RidA family protein PA5083
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with 2-ketobutyric acid bound
To Be Published
9BJY
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BU of 9bjy by Molmil
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with TMAO bound
Descriptor: RidA family protein, SULFATE ION, trimethylamine oxide
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-26
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the RidA protein PA5083 from Pseudomonas aeruginosa with TMAO bound
To Be Published
9BEL
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BU of 9bel by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with five Tungstates bound
Descriptor: Molybdenum-pterin binding domain-containing protein, SULFATE ION, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Storage of the vital metal tungsten in a dominant SCFA-producing human gut microbe Eubacterium limosum and implications for other gut microbes.
Mbio, 16, 2025
5QCJ
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BU of 5qcj by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium, Cathepsin S, SULFATE ION
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QBZ
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BU of 5qbz by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: Cathepsin S, N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC8
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BU of 5qc8 by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: Cathepsin S, N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
4ZFP
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BU of 4zfp by Molmil
A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein hen egg white lysozyme
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Merlino, A.
Deposit date:2015-04-21
Release date:2015-06-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme.
Biometals, 28, 2015
5QC0
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BU of 5qc0 by Molmil
Crystal structure of human Cathepsin-S with bound ligand
Descriptor: 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one, Cathepsin S
Authors:Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
6FM1
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BU of 6fm1 by Molmil
Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-29
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
6FCT
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BU of 6fct by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ATP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018

238582

数据于2025-07-09公开中

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