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7MB6
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
Descriptor: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
Descriptor: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
8VO4
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BU of 8vo4 by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Descriptor: (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H, Feng, Y.
Deposit date:2024-01-14
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
8VO5
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BU of 8vo5 by Molmil
Cryo-EM structure of fascin bound to F-actin (actin binding site 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Alushin, G.M.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Fascin structural plasticity mediates flexible actin bundle construction.
Nat.Struct.Mol.Biol., 32, 2025
6VRZ
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BU of 6vrz by Molmil
protein A
Descriptor: CHLORAMPHENICOL, Multidrug transporter MdfA, PRASEODYMIUM ION
Authors:Lu, M, Lu, M.M.
Deposit date:2020-02-10
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
7MB9
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BU of 7mb9 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
Descriptor: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
Descriptor: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-23
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
8VIX
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BU of 8vix by Molmil
Hydrogen Peroxide-bound Vanadium-dependent Bromoperoxidase from Corallina pilulifera
Descriptor: CALCIUM ION, PEROXIDE ION, VANADATE ION, ...
Authors:Hessefort, L.Z, Williams, D.R, Biegasiewicz, K.F.
Deposit date:2024-01-05
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:High-Resolution CryoEM unveils insights into the Catalytic Mechanism of a Vanadium-dependent Bromoperoxidase
To be published
6VS5
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BU of 6vs5 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
7MB4
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BU of 7mb4 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
Descriptor: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
6VST
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BU of 6vst by Molmil
Arginase from Medicago truncatula in complex with ornithine
Descriptor: Arginase, L-ornithine, MANGANESE (II) ION
Authors:Sekula, B.
Deposit date:2020-02-11
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
7MB8
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BU of 7mb8 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
Descriptor: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
8VMI
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BU of 8vmi by Molmil
PRC2_AJ119-450 bound to H3K4me3
Descriptor: EZH2, Histone H3.1, Histone H3.1t, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
7M49
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BU of 7m49 by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Reaction State Ternary Complex, 5 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
5VVE
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BU of 5vve by Molmil
Crystal structure of phosphoglycerate mutase from Naegleria fowleri
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-19
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of phosphoglycerate mutase from Naegleria fowleri
TO BE PUBLISHED
5IGB
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BU of 5igb by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36D/V66H at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Theodoru, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L36D/V66H at cryogenic temperature
To be Published
5IGD
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BU of 5igd by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/I92E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Theodoru, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/I92E at cryogenic temperature
To be Published
6VRN
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BU of 6vrn by Molmil
T cell receptor-p53-HLA-A2 complex
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-08
Release date:2020-06-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
8VO7
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BU of 8vo7 by Molmil
Cryo-EM structure of fascin crosslinked F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Alushin, G.M.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Fascin structural plasticity mediates flexible actin bundle construction.
Nat.Struct.Mol.Biol., 32, 2025
6VVB
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BU of 6vvb by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ...
Authors:Tyrakis, P, Dias, M.V.B.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
7LIU
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BU of 7liu by Molmil
DDX3X bound to ATP analog and remodeled RNA:DNA hybrid
Descriptor: 5'-R(*GP*GP*GP*CP*GP*GP*G)-D(P*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase DDX3X, MAGNESIUM ION, ...
Authors:Enemark, E.J, Yu, S.
Deposit date:2021-01-27
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:DDX3X bound to ATP analog and remodeled RNA:DNA hybrid
To Be Published
5IDA
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BU of 5ida by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN)
Descriptor: Natterin-3, beta-D-mannopyranose
Authors:Unno, H.
Deposit date:2016-02-24
Release date:2016-06-29
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Sci Rep, 6, 2016
8VWB
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BU of 8vwb by Molmil
CryoEM Structure of a FtsH Helical Assembly in the Aged State
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, MAGNESIUM ION, ...
Authors:Li, Y, Zhu, J, Zhang, Z, Wang, F, Egelman, E.H, Tezcan, F.A.
Deposit date:2024-01-31
Release date:2025-01-15
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Transforming an ATP-dependent enzyme into a dissipative, self-assembling system.
Nat.Chem.Biol., 21, 2025
7M4H
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BU of 7m4h by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Reaction State Ternary Complex, 225 min
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
5VXT
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Crystal structure of catechol 1,2-dioxygenase from Burkholderia ambifaria
Descriptor: 1,2-ETHANEDIOL, CATECHOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-24
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of catechol 1,2-dioxygenase from Burkholderia ambifaria
TO BE PUBLISHED

243531

数据于2025-10-22公开中

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