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5Z1A
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BU of 5z1a by Molmil
The crystal structure of Bacteroides fragilis beta-glucuronidase in complex with uronic isofagomine
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Putative beta-galactosidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
8TMT
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BU of 8tmt by Molmil
Crystal structure of KPC-44 carbapenemase in complex with vaborbactam
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ...
Authors:Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-30
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TJM
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BU of 8tjm by Molmil
Crystal structure of KPC-44 carbapenemase
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-23
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TN0
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BU of 8tn0 by Molmil
Crystal structure of KPC-44 carbapenemase w/o cryoprotectant
Descriptor: SULFATE ION, beta-lactamase
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-31
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TMR
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BU of 8tmr by Molmil
Crystal structure of KPC-44 carbapenemase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-30
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8GWD
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BU of 8gwd by Molmil
Crystal structure of AtHPPD-Y18734 complex
Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1S)-1-phenylethyl]quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2022-09-16
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Crystal structure of AtHPPD-Y18734 complex
To Be Published
6PAV
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BU of 6pav by Molmil
Structure of Human NMT1 with products CoA and myristoyl-lysine peptide with acetylated N-terminus
Descriptor: ARF6 peptide, COENZYME A, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-12
Release date:2020-03-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
6PAU
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BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
Descriptor: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-11
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
6JJC
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BU of 6jjc by Molmil
Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) semi-empty VLP
Descriptor: CALCIUM ION, Capsid protein
Authors:Chang, W.H, Wang, C.H, Lin, H.H, Lin, S.Y, Chong, S.C, Wu, Y.Y.
Deposit date:2019-02-25
Release date:2019-05-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) semi-empty VLP
To Be Published
6JJD
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BU of 6jjd by Molmil
Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) full VLP
Descriptor: CALCIUM ION, Capsid protein
Authors:Chang, W.H, Wang, C.H, Lin, H.H, Lin, S.Y, Chong, S.C, Wu, Y.Y.
Deposit date:2019-02-25
Release date:2019-05-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii nodavirus (MrNV) full VLP
To Be Published
6JJA
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BU of 6jja by Molmil
Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii extra small virus (XSV) VLP
Descriptor: CALCIUM ION, Nucleocapsid protein CP17
Authors:Chang, W.H, Wang, C.H, Lin, H.H, Lin, S.Y, Chong, S.C, Wu, Y.Y.
Deposit date:2019-02-25
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii extra small virus (XSV) VLP
To Be Published
6Q2E
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BU of 6q2e by Molmil
Crystal structure of Methanobrevibacter smithii Dph2 bound to 5'-methylthioadenosine
Descriptor: 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-07
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
6Q2P
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BU of 6q2p by Molmil
Crystal structure of mouse viperin bound to cytidine triphosphate and S-adenosylhomocysteine
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-08
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
6Q2Q
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BU of 6q2q by Molmil
Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-08
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
3LZD
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BU of 3lzd by Molmil
Crystal structure of Dph2 from Pyrococcus horikoshii with 4Fe-4S cluster
Descriptor: Dph2, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Torelli, A.T, Zhang, Y, Zhu, X, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E.
Deposit date:2010-03-01
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
5H9Q
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BU of 5h9q by Molmil
Crystal Structure of Human Galectin-7 in Complex with TD139
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-7
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2015-12-29
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
5H9R
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BU of 5h9r by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with TAZTDG
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2015-12-29
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
5H9S
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BU of 5h9s by Molmil
Crystal Structure of Human Galectin-7 in Complex with TAZTDG
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-7
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2015-12-29
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
5H9P
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BU of 5h9p by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with TD139
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-3
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2015-12-29
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
7ROM
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BU of 7rom by Molmil
Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase 1, ...
Authors:Fenwick, M.K, Zhang, Y, Lin, H.
Deposit date:2021-07-31
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
To Be Published
3LZC
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BU of 3lzc by Molmil
Crystal structure of Dph2 from Pyrococcus horikoshii
Descriptor: Dph2
Authors:Zhang, Y, Zhu, X, Torelli, A.T, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E.
Deposit date:2010-03-01
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
6Q2D
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BU of 6q2d by Molmil
Crystal structure of Methanobrevibacter smithii Dph2 in complex with Methanobrevibacter smithii elongation factor 2
Descriptor: 2-(3-amino-3-carboxypropyl)histidine synthase, Elongation factor 2, IRON/SULFUR CLUSTER
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-07
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
6JZ2
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BU of 6jz2 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with uronic isofagomine at 1.3 Angstroms resolution
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
8IM3
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BU of 8im3 by Molmil
Crystal structure of human HPPD complexed with compound a10
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
Authors:Dong, J, Lin, H.-Y.
Deposit date:2023-03-05
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
6JZ5
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BU of 6jz5 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with D-glucuronic acid
Descriptor: Beta-glucuronidase, beta-D-glucopyranuronic acid
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020

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PDB entries from 2024-08-28

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