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4R1I
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BU of 4r1i by Molmil
Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps
Descriptor: Aminobenzoyl-glutamate transporter
Authors:Su, C.-C, Bolla, J.R, Yu, E.W.
Deposit date:2014-08-06
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.959 Å)
Cite:Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps.
Cell Rep, 11, 2015
3KXO
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BU of 3kxo by Molmil
An orally active inhibitor bound at the active site of HPGDS
Descriptor: 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ...
Authors:Kiefer, J.R, Day, J.E, Thorarensen, A.
Deposit date:2009-12-03
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
7A1T
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BU of 7a1t by Molmil
A collapsed hexameric state of a de novo coiled-coil assembly: CC-Type2-(GgLaId)4-W19BrPhe.
Descriptor: ACETATE ION, CADMIUM ION, CC-Type2-(GgLaId)4-W19BrPhe, ...
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2020-08-14
Release date:2021-05-19
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
6ZT1
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BU of 6zt1 by Molmil
Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)4
Descriptor: CC-Type2-(LaIdGe)4
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2020-07-17
Release date:2021-02-03
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural resolution of switchable states of a de novo peptide assembly.
Nat Commun, 12, 2021
3N9K
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BU of 3n9k by Molmil
F229A/E292S Double Mutant of Exo-beta-1,3-glucanase from Candida albicans in Complex with Laminaritriose at 1.7 A
Descriptor: CALCIUM ION, Glucan 1,3-beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
Deposit date:2010-05-30
Release date:2010-09-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance
Febs J., 277, 2010
7UX0
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BU of 7ux0 by Molmil
Human Sperm TMEM95 Ectodomain
Descriptor: Sperm-egg fusion protein TMEM95, TRIETHYLENE GLYCOL, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tang, S, Kim, P.S.
Deposit date:2022-05-04
Release date:2022-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Human sperm TMEM95 binds eggs and facilitates membrane fusion.
Proc.Natl.Acad.Sci.USA, 119, 2022
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
9GHI
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BU of 9ghi by Molmil
Machupo virus GP1-GP2 heterodimer in complex with Fab of MAC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G2, ...
Authors:Bowden, T.A, Paesen, G.C.
Deposit date:2024-08-15
Release date:2025-06-11
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure and stabilization of the antigenic glycoprotein building blocks of the New World mammarenavirus spike complex.
Mbio, 2025
9GHJ
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BU of 9ghj by Molmil
Junin virus GP1-GP2 heterodimer in complex with Fab of JUN1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G2, ...
Authors:Bowden, T.A, Paesen, G.C.
Deposit date:2024-08-15
Release date:2025-06-11
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure and stabilization of the antigenic glycoprotein building blocks of the New World mammarenavirus spike complex.
Mbio, 2025
9GF4
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BU of 9gf4 by Molmil
CC-Hept-IV-hen2 variant peptide with Hendecad repeat substitution
Descriptor: CC-Hept-IV-hen2, GLYCEROL, SODIUM ION
Authors:Kurgan, K.W, Martin, F.J.O, Woolfson, D.N.
Deposit date:2024-08-08
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Exchange, promiscuity, and orthogonality in de novo designed coiled-coil peptide assemblies.
Chem Sci, 16, 2025
9GF3
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BU of 9gf3 by Molmil
CC-Hept-hen2 variant peptide with Hendecad repeat substitution
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AMMONIUM ION, CC-Hept-hen2, ...
Authors:Kurgan, K.W, Martin, F.J.O.
Deposit date:2024-08-08
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exchange, promiscuity, and orthogonality in de novo designed coiled-coil peptide assemblies.
Chem Sci, 16, 2025
9GF2
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BU of 9gf2 by Molmil
CC-Hex-hen2 variant peptide with Hendecad repeat substitution
Descriptor: CC-Hex2-hen2, PENTAETHYLENE GLYCOL
Authors:Kurgan, K.W, Martin, F.J.O, Woolfson, D.N.
Deposit date:2024-08-08
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Exchange, promiscuity, and orthogonality in de novo designed coiled-coil peptide assemblies.
Chem Sci, 16, 2025
6AZP
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BU of 6azp by Molmil
A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ramyar, K.X, Geisbrecht, B.V.
Deposit date:2017-09-11
Release date:2017-12-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
J. Biol. Chem., 293, 2018
8DEW
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BU of 8dew by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with LL-37 complex
Descriptor: Antibacterial peptide LL-37, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
Authors:Lyu, M, Yu, E.W.
Deposit date:2022-06-21
Release date:2022-09-14
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
8DEV
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BU of 8dev by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with colistin complex
Descriptor: Colistin, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
Authors:Lyu, M, Yu, E.W.
Deposit date:2022-06-21
Release date:2022-09-14
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
8DEU
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BU of 8deu by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with CASP peptide complex
Descriptor: CASP peptide, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
Authors:Lyu, M, Yu, E.W.
Deposit date:2022-06-21
Release date:2022-09-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
4AW4
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BU of 4aw4 by Molmil
Engineered variant of Listeria monocytogenes InlB internalin domain with an additional leucine rich repeat inserted
Descriptor: GLYCEROL, INTERNALIN B, SULFATE ION
Authors:Niemann, H.H, Heinz, D.W.
Deposit date:2012-05-31
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Engineered Variants of Inlb with an Additional Leucine-Rich Repeat Discriminate between Physiologically Relevant and Packing Contacts in Crystal Structures of the Inlb:Met Complex.
Protein Sci., 21, 2012
6Y88
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BU of 6y88 by Molmil
IGPS (Indole-3-glycerol phosphate synthase) from Pseudomonas aeruginosa in complex with substrate inhibitor rCdRP
Descriptor: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, CITRIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Selmer, M.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09983444 Å)
Cite:Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa : Decarboxylation is not essential for indole formation.
J.Biol.Chem., 295, 2020
8EZD
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BU of 8ezd by Molmil
Brain-derived 42-residue amyloid-beta fibril type A
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EZE
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BU of 8eze by Molmil
Brain-derived 42-residue amyloid-beta fibril type B
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
2Y5P
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BU of 2y5p by Molmil
B-repeat of Listeria monocytogenes InlB (internalin B)
Descriptor: CALCIUM ION, CHLORIDE ION, INTERNALIN B
Authors:Ebbes, M, Niemann, H.H.
Deposit date:2011-01-17
Release date:2011-02-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fold and Function of the Inlb B-Repeat.
J.Biol.Chem., 286, 2011
2Y5Q
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BU of 2y5q by Molmil
Listeria monocytogenes InlB (internalin B) residues 36-392
Descriptor: INTERNALIN B, ZINC ION
Authors:Ebbes, M, Niemann, H.H.
Deposit date:2011-01-17
Release date:2011-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Fold and Function of the Inlb B-Repeat.
J.Biol.Chem., 286, 2011
5KBC
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BU of 5kbc by Molmil
Crystal structure of Chlamydia trachomatis DsbA
Descriptor: DsbA
Authors:McMahon, R.M, Groftehauge, M.K, Martin, J.L.
Deposit date:2016-06-02
Release date:2017-01-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structural and Biochemical Characterization of Chlamydia trachomatis DsbA Reveals a Cysteine-Rich and Weakly Oxidising Oxidoreductase.
PLoS ONE, 11, 2016
6LIX
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BU of 6lix by Molmil
CRL Protein of Arabidopsis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic
Authors:Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M.
Deposit date:2019-12-13
Release date:2020-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
6LIY
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BU of 6liy by Molmil
SeMet CRL Protein of Arabidopsis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic
Authors:Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M.
Deposit date:2019-12-13
Release date:2020-09-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020

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數據於2025-07-09公開中

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