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5D58
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BU of 5d58 by Molmil
In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ...
Authors:Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D5D
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BU of 5d5d by Molmil
In meso in situ serial X-ray crystallography structure of AlgE at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
8C5V
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BU of 8c5v by Molmil
Chemotaxis core signalling unit from E protein lysed E. coli cells
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein I
Authors:Cassidy, C.K, Qin, Z, Zhang, P.
Deposit date:2023-01-10
Release date:2023-09-13
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure of the native chemotaxis core signaling unit from phage E-protein lysed E. coli cells.
Mbio, 14, 2023
7B2B
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BU of 7b2b by Molmil
Solution structure of a non-covalent extended docking domain complex of the Pax NRPS: PaxA T1-CDD/PaxB NDD
Descriptor: Amino acid adenylation domain-containing protein, Peptide synthetase PaxA
Authors:Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2020-11-26
Release date:2021-06-16
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
7B2F
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BU of 7b2f by Molmil
Solution structure of the Pax NRPS docking domain PaxB NDD
Descriptor: Peptide synthetase XpsB (Modular protein)
Authors:Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2020-11-26
Release date:2021-06-09
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
8CDE
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BU of 8cde by Molmil
PfCyRPA-PfRIPR complex from Plasmodium falciparum bound to antibody Cy.003
Descriptor: Cy.003, Cy.003 light chain, Cysteine-rich protective antigen, ...
Authors:Farrell, B, Higgins, M.K.
Deposit date:2023-01-30
Release date:2023-10-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The PfRCR complex bridges malaria parasite and erythrocyte during invasion.
Nature, 625, 2024
8CDD
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BU of 8cdd by Molmil
PfRH5-PfCyRPA-PfRIPR complex from Plasmodium falciparum bound to antibody Cy.003
Descriptor: Cy.003 heavy chain, Cy.003 light chain, Cysteine-rich protective antigen, ...
Authors:Farrell, B, Higgins, M.K.
Deposit date:2023-01-30
Release date:2023-10-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The PfRCR complex bridges malaria parasite and erythrocyte during invasion.
Nature, 625, 2024
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
5D5A
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BU of 5d5a by Molmil
In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4826 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
6H8R
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BU of 6h8r by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
Descriptor: 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Hoerer, S, Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
7BML
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BU of 7bml by Molmil
Crystal structure of outer surface protein C (OspC) from Borrelia burgdorferi
Descriptor: Outer surface protein C
Authors:Sliwiak, J, Bierwagen, P, Ruszkowski, M, Jaskolski, M, Urbanowicz, A.
Deposit date:2021-01-20
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies of outer surface proteins (OspC) from different Borrelia strains
To Be Published
6HKI
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BU of 6hki by Molmil
Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase
Descriptor: Protein O-GlcNAcase
Authors:Males, A, Davies, G.J.
Deposit date:2018-09-06
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies of a surface-entropy reduction mutant of O-GlcNAcase.
Acta Crystallogr D Struct Biol, 75, 2019
7BIG
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BU of 7big by Molmil
Crystal structure of v13WRAP-T, a 7-bladed designer protein
Descriptor: CHLORIDE ION, v13WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIE
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BU of 7bie by Molmil
Crystal structure of nvWrap-T, a 7-bladed symmetric propeller
Descriptor: CITRIC ACID, nvWRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BID
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BU of 7bid by Molmil
Crystal structure of v31WRAP-T, a 7-bladed designer protein
Descriptor: v31WRAP-T
Authors:Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIF
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BU of 7bif by Molmil
Crystal structure of v22WRAP-T, a 7-bladed designer protein
Descriptor: v22WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7DEQ
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BU of 7deq by Molmil
Lysozyme-sugar complex in D2O
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanaka, I, Chatake, T.
Deposit date:2020-11-04
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
7DER
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BU of 7der by Molmil
Lysozyme alone in H2O
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Tanaka, I, Chatake, T.
Deposit date:2020-11-04
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
3D9S
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BU of 3d9s by Molmil
Human Aquaporin 5 (AQP5) - High Resolution X-ray Structure
Descriptor: Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
Authors:Horsefield, R, Norden, K, Fellert, M, Backmark, A, Tornroth-Horsefield, S, Terwisscha Van Scheltinga, A.C, Kvassman, J, Kjellbom, P, Johanson, U, Neutze, R.
Deposit date:2008-05-27
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution x-ray structure of human aquaporin 5
Proc.Natl.Acad.Sci.Usa, 105, 2008
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
Authors:Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
Deposit date:2023-01-12
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
8GVM
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BU of 8gvm by Molmil
The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2022-09-15
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity
J. Biol. Chem., 293, 2018
8GB0
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BU of 8gb0 by Molmil
SARS-CoV-2 Spike H655Y variant, One RBD Open
Descriptor: Spike glycoprotein
Authors:Egri, S.B, Shen, K, Luban, J.
Deposit date:2023-02-24
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:S:D614G and S:H655Y are gateway mutations that act epistatically to promote SARS-CoV-2 variant fitness.
Biorxiv, 2023
8GDG
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BU of 8gdg by Molmil
Solution structure of the Neutrophil Serine Protease Inhibitor, EapH2
Descriptor: Cell surface like-protein Map-w
Authors:Mishra, N.B, Geisbrecht, B.V, Prakash, O.
Deposit date:2023-03-05
Release date:2023-04-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023
8GDH
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BU of 8gdh by Molmil
Solution structure of the Neutrophil Serine Protease Inhibitor, EapH1
Descriptor: Cell surface protein map-w
Authors:Mishra, N.B, Geisbrecht, B.V, Prakash, O.
Deposit date:2023-03-05
Release date:2023-04-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023
8G24
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BU of 8g24 by Molmil
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, MAP domain-containing protein, ...
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023

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數據於2024-09-25公開中

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