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5JBC
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BU of 5jbc by Molmil
Crystal structure of factor IXa variant V16I K98T Y177T I213V in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
5J8O
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BU of 5j8o by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
Deposit date:2016-04-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
8GEZ
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BU of 8gez by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8036 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-07
Release date:2023-05-24
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GF0
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BU of 8gf0 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8044 inhibitor
Descriptor: 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-07
Release date:2023-05-24
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFD
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BU of 8gfd by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3252 inhibitor
Descriptor: 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7W11
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BU of 7w11 by Molmil
glycosyltransferase
Descriptor: DIGITOXIGENIN, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Wei, H, Feng, L.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
8GFI
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BU of 8gfi by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7285 inhibitor soaked at 3 mM concentration
Descriptor: CITRIC ACID, Lytic transglycosylase domain-containing protein, [(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7W7J
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BU of 7w7j by Molmil
Crystal structure of IrCp* immobilized apo-R52H-rHLFr (25 equiv)
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Taher, M, Maity, B, Nakane, T, Abe, S, Mazumdar, S.
Deposit date:2021-12-05
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7W0Z
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BU of 7w0z by Molmil
Glycosyltranferase UGT74AN2
Descriptor: 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wei, H, Feng, L.
Deposit date:2021-11-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
7W09
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UGT74AN2, Plant Steroid Glycosyltransferase
Descriptor: Glycosyltransferase
Authors:Wei, H, Feng, L.
Deposit date:2021-11-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
7W1H
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BU of 7w1h by Molmil
glycosyltransferase
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wei, H, Feng, L.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
8G9M
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BU of 8g9m by Molmil
Acinetobacter_baumannii short-chain dehydrogenase
Descriptor: Oxidoreductase, short chain dehydrogenase/reductase family
Authors:Shaw, K, Forwood, J.K.
Deposit date:2023-02-21
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Acinetobacter_baumannii short-chain dehydrogenase
To Be Published
8GM4
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BU of 8gm4 by Molmil
Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor
Descriptor: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2023-03-24
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
8GFB
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BU of 8gfb by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv16b inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7W10
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BU of 7w10 by Molmil
UGT74AN2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Wei, H, Long, F.
Deposit date:2021-11-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
7WSJ
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BU of 7wsj by Molmil
Crystal structure of the tandem B-box domain of Arabidopsis thaliana CONSTANS
Descriptor: ZINC ION, Zinc finger protein CONSTANS
Authors:Dahal, P, Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2022-01-29
Release date:2022-03-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a tandem B-box domain from Arabidopsis CONSTANS.
Biochem.Biophys.Res.Commun., 599, 2022
8GBB
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BU of 8gbb by Molmil
Short-chain dehydrogenase/reductase (SDR) from multi-drug resistant Acinetobacter baumannii
Descriptor: SDR family oxidoreductase
Authors:Shaw, K.I, Ghafoori, S.M, Forwood, J.K.
Deposit date:2023-02-24
Release date:2023-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic structure determination and analysis of a potential short-chain dehydrogenase/reductase (SDR) from multi-drug resistant Acinetobacter baumannii.
Plos One, 18, 2023
7W0K
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BU of 7w0k by Molmil
plant glycosyltransferase
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wei, H, Feng, L.
Deposit date:2021-11-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
8G8K
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BU of 8g8k by Molmil
Crystal structure of Rv1916 (residues 233-398)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative isocitrate lyase subunit B
Authors:Kwai, B.X.C, Bashiri, G, Leung, I.K.H.
Deposit date:2023-02-18
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mycobacterium tuberculosis Rv1916 is an Acetyl-CoA-Binding Protein.
Chembiochem, 24, 2023
7W1B
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BU of 7w1b by Molmil
Glycosyltransferase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIGITOXIGENIN, Glycosyltransferase, ...
Authors:Wei, H, Feng, L.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
7W1N
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BU of 7w1n by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
Descriptor: 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-19
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W44
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BU of 7w44 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-26
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W2B
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BU of 7w2b by Molmil
The closed conformation of the sigma-1 receptor from Xenopus laevis
Descriptor: GOLD ION, Sigma non-opioid intracellular receptor 1, octyl beta-D-glucopyranoside
Authors:Meng, F, Sun, Z, Zhou, X.
Deposit date:2021-11-23
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway.
Nat Commun, 13, 2022
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
Descriptor: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
Authors:Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
Deposit date:2021-11-26
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7WRK
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BU of 7wrk by Molmil
Structure of hypothetical protein TTHA1873 from Thermus thermophilus
Descriptor: CALCIUM ION, hypothetical protein TTHA1873
Authors:Yuvaraj, I, Santosh, K.C, Sekar, K.
Deposit date:2022-01-27
Release date:2022-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of the hypothetical protein TTHA1873 from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 78, 2022

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PDB entries from 2024-07-17

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