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8D28
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BU of 8d28 by Molmil
Crystal structure of theophylline aptamer in complex with theophylline
Descriptor: MAGNESIUM ION, RNA (33-MER), SODIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2A
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BU of 8d2a by Molmil
Crystal structure of theophylline aptamer in complex with TAL3
Descriptor: 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5L
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BU of 8d5l by Molmil
Crystal structure of theophylline aptamer in complex with TAL1
Descriptor: 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-06-05
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D29
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BU of 8d29 by Molmil
Crystal structure of theophylline aptamer - apo form
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
2BII
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BU of 2bii by Molmil
crystal structure of nitrate-reducing fragment of assimilatory nitrate reductase from Pichia angusta
Descriptor: (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(IV), GLYCEROL, NITRATE REDUCTASE [NADPH], ...
Authors:Fischer, K, Barbier, G, Hecht, H.-J, Mendel, R.R, Campbell, W.H, Schwarz, G.
Deposit date:2005-01-21
Release date:2005-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Eukaryotic Nitrate Reduction: Crystal Structures of the Nitrate Reductase Active Site
Plant Cell, 17, 2005
8D38
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BU of 8d38 by Molmil
Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus
Descriptor: Purine nucleoside phosphorylase, SODIUM ION
Authors:Given, F, Johnston, J, Crittenden, D, Moran, F, Johns, A.
Deposit date:2022-05-31
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'.
Acta Crystallogr.,Sect.F, 78, 2022
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Pozzi, N, Chen, Z, Di Cera, E.
Deposit date:2016-04-17
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
2DHO
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BU of 2dho by Molmil
Crystal structure of human IPP isomerase I in space group P212121
Descriptor: CHLORIDE ION, Isopentenyl-diphosphate delta-isomerase 1, MANGANESE (II) ION, ...
Authors:Zhang, C, Wei, Z, Gong, W.
Deposit date:2006-03-24
Release date:2007-06-05
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
8D4O
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BU of 8d4o by Molmil
Crystal Structure of the Neutrophil Serine Protease Inhibitor Eap1 from S. aureus
Descriptor: Extracellular Adherence Protein, SODIUM ION
Authors:Gido, C.D, Geisbrecht, B.V.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
8DJF
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BU of 8djf by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound tetrahedral intermediate
Descriptor: (5S)-5-methyloxolane-2,2-diol, CALCIUM ION, Gluconolactonase, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2022-06-30
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8DJZ
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BU of 8djz by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound product
Descriptor: (4R)-4-hydroxypentanoic acid, CALCIUM ION, Gluconolactonase, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2022-07-01
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8DJR
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BU of 8djr by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor
Descriptor: L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJX
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BU of 8djx by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II
Descriptor: L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
6VFR
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BU of 6vfr by Molmil
Crystal structure of human protocadherin 18 EC1-EC4
Descriptor: 1,2-ETHANEDIOL, 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, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2020-01-06
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
8DJU
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BU of 8dju by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex
Descriptor: (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJS
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BU of 8djs by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - one ascorbate complex
Descriptor: ASCORBIC ACID, GLYCEROL, L-ascorbate peroxidase, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJT
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BU of 8djt by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - four ascorbates complex
Descriptor: ASCORBIC ACID, GLYCEROL, L-ascorbate peroxidase, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
Descriptor: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
Authors:Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
Deposit date:2022-05-20
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
6V7Z
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BU of 6v7z by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
8DJW
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BU of 8djw by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - hydroperoxo complex
Descriptor: L-ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
5IUY
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BU of 5iuy by Molmil
Structural insights of the outer-membrane channel OprN
Descriptor: CHLORIDE ION, FORMIC ACID, Multidrug efflux outer membrane protein OprN, ...
Authors:Ntsogo, Y, Garnier, C, Phan, G, Monlezun, L, Benas, P, Broutin, I.
Deposit date:2016-03-18
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
6V04
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BU of 6v04 by Molmil
DynU16 crystal structure, a putative protein in the dynemicin biosynthetic locus
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Alvarado, S.K, Miller, M.D, Bhardwaj, M, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N.
Deposit date:2019-11-18
Release date:2020-11-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of DynU16, a START/Bet v1-like protein involved in dynemicin biosynthesis.
Acta Crystallogr.,Sect.F, 77, 2021
8D35
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BU of 8d35 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) C145A mutant in complex with peptide from human tRNA methyltransferase TRMT1
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, GLYCEROL, ...
Authors:D'Oliviera, A, Mugridge, J.S.
Deposit date:2022-05-31
Release date:2023-03-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition and Cleavage of Human tRNA Methyltransferase TRMT1 by the SARS-CoV-2 Main Protease.
Elife, 2023
8DCM
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BU of 8dcm by Molmil
Crystal structure of Clostridioides difficile binary toxin proCDTb lacking D4 in complex with BINTOXB/22 Fab
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, BINTOXB/22 Fab heavy chain, BINTOXB/22 Fab light chain, ...
Authors:Goldsmith, J.A, McLellan, J.S.
Deposit date:2022-06-16
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Binding of Neutralizing Antibodies to Clostridioides difficile Binary Toxin.
J.Bacteriol., 205, 2023
5Y07
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BU of 5y07 by Molmil
Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis with PRPP.
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Adenine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Pavithra, G.C, Ramagopal, U.A.
Deposit date:2017-07-25
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis with PRPP
To be published

222624

PDB entries from 2024-07-17

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