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6GPJ
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BU of 6gpj by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GDP-mannose 4,6 dehydratase, ...
Authors:Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2018-06-06
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
5VXM
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BU of 5vxm by Molmil
2.05 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody 20ipaD
Descriptor: Invasin IpaD, Single-domain antibody 20ipaD
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L.
Deposit date:2017-05-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody 20ipaD
To Be Published
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
6JZK
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BU of 6jzk by Molmil
Structure of FimA type-1 (FimA1) prepilin of the type V major fimbrium
Descriptor: GLYCEROL, Major fimbrium subunit FimA type-1, S,R MESO-TARTARIC ACID, ...
Authors:Okada, K, Shoji, M, Nakayam, K, Imada, K.
Deposit date:2019-05-02
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
6GQA
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BU of 6gqa by Molmil
Cell division regulator S. pneumoniae GpsB
Descriptor: Cell cycle protein GpsB
Authors:Lewis, R.J, Rutter, Z.J.
Deposit date:2018-06-07
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes.
Nat Commun, 10, 2019
8BM5
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BU of 8bm5 by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-10
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
6Z0R
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BU of 6z0r by Molmil
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 1
Descriptor: 1,2-ETHANEDIOL, 4-azanylpyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ...
Authors:Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L.
Deposit date:2020-05-10
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.308 Å)
Cite:Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
8BIW
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BU of 8biw by Molmil
Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine
Descriptor: (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ...
Authors:Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
Deposit date:2022-11-02
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
5HK5
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BU of 5hk5 by Molmil
Structure of the Grem2-GDF5 Inhibitory Complex
Descriptor: Gremlin-2, Growth/differentiation factor 5
Authors:Nolan, K, Thompson, T.B, Read, R.J.
Deposit date:2016-01-13
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Gremlin-2 in Complex with GDF5 Gives Insight into DAN-Family-Mediated BMP Antagonism.
Cell Rep, 16, 2016
6QTB
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BU of 6qtb by Molmil
Crystal structure of Rea1-MIDAS/Ytm1-UBL complex from Chaetomium thermophilum
Descriptor: GLYCEROL, MAGNESIUM ION, Midasin,Midasin, ...
Authors:Ahmed, Y.L, Thoms, M, Hurt, E, Sinning, I.
Deposit date:2019-02-22
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes.
Nat Commun, 10, 2019
6GQI
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BU of 6gqi by Molmil
Thermocrispum municipale cyclohexanone monooxygenase bound to hexanoic acid
Descriptor: ACETATE ION, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A, Gomez Castellanos, J.R.
Deposit date:2018-06-07
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.
ACS Catal, 8, 2018
6DBY
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BU of 6dby by Molmil
Crystal structure of Nudix 1 from Arabidopsis thaliana
Descriptor: MAGNESIUM ION, Nudix hydrolase 1
Authors:Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K.
Deposit date:2018-05-03
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
7Q0W
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BU of 7q0w by Molmil
Bovine Trypsin co-crystallized with V(IV)OSO4 and phen
Descriptor: 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
6R05
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BU of 6r05 by Molmil
T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE
Descriptor: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
7JTV
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BU of 7jtv by Molmil
Structure of IMPa from Pseudomonas aeruginosa in complex with an O-glycopeptide
Descriptor: 1,2-ETHANEDIOL, GLU-ALA-PRO-SER-ALA, Immunomodulating metalloprotease, ...
Authors:Noach, I, Boraston, A.B.
Deposit date:2020-08-18
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural evidence for a proline-specific glycopeptide recognition domain in an O-glycopeptidase.
Glycobiology, 31, 2021
6R07
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BU of 6r07 by Molmil
T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid
Descriptor: (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ...
Authors:Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
6DC0
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BU of 6dc0 by Molmil
Tribbles (TRIB1) pseudokinase fused to CCAAT-enhancer binding protein (C/EBPalpha) degron
Descriptor: Tribbles homolog 1,CCAAT/enhancer-binding protein alpha
Authors:Jamieson, S.A, Brewster, J.L, Mace, P.D.
Deposit date:2018-05-03
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate binding allosterically relieves autoinhibition of the pseudokinase TRIB1.
Sci Signal, 11, 2018
7JUG
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BU of 7jug by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Man-alpha1-6Man
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-D-mannopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-08-19
Release date:2021-02-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
8BRB
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BU of 8brb by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
Descriptor: DIMETHYL SULFOXIDE, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
Authors:Richter, P.K, Strater, N.
Deposit date:2022-11-22
Release date:2023-04-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
6QTO
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BU of 6qto by Molmil
Crystal structure of an Arabidopsis WD40 domain in complex with a transcription factor
Descriptor: E3 ubiquitin-protein ligase COP1, GLYCEROL, SULFATE ION, ...
Authors:Hothorn, M, Lau, K.
Deposit date:2019-02-25
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Plant photoreceptors and their signaling components compete for COP1 binding via VP peptide motifs.
Embo J., 38, 2019
6GRQ
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BU of 6grq by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B
Authors:Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
Deposit date:2018-06-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
5W2F
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BU of 5w2f by Molmil
Crystal Structure of the C-terminal Domain of Human eIF2D at 1.4 A resolution
Descriptor: Eukaryotic translation initiation factor 2D, FORMIC ACID
Authors:Vaidya, A.T, Lomakin, I.B, Joseph, N.N, Dmitriev, S.E, Steitz, T.A.
Deposit date:2017-06-06
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of the C-terminal Domain of Human eIF2D and Its Implications on Eukaryotic Translation Initiation.
J. Mol. Biol., 429, 2017
6QTW
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BU of 6qtw by Molmil
Crystal structure of an Arabidopsis WD40 domain in complex with a blue light photoreceptor
Descriptor: Cryptochrome-1, E3 ubiquitin-protein ligase COP1, GLYCEROL, ...
Authors:Hothorn, M, Lau, K.
Deposit date:2019-02-25
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Plant photoreceptors and their signaling components compete for COP1 binding via VP peptide motifs.
Embo J., 38, 2019
6KDN
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BU of 6kdn by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
6GH3
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BU of 6gh3 by Molmil
Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound
Descriptor: 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ...
Authors:Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A.
Deposit date:2018-05-04
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019

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数据于2024-08-28公开中

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