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PDB: 333 results

7F39
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BU of 7f39 by Molmil
The structure of flavin transferase FmnB
Descriptor: FAD:protein FMN transferase
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-15
Release date:2021-11-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F2U
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BU of 7f2u by Molmil
FmnB complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-14
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
4KGX
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BU of 4kgx by Molmil
The R state structure of E. coli ATCase with CTP bound
Descriptor: Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R.
Deposit date:2013-04-29
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
4NFP
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BU of 4nfp by Molmil
Crystal Structure Analysis of the 16mer GCAGNCUUAAGUCUGC containing 8-aza-7-deaza-7-ethynyl Adenosine
Descriptor: FORMAMIDE, GCAG(A7E)CUUAAGUCUGC
Authors:Beal, P.A, Fisher, A.J, Phelps, K.J, Ibarra-Soza, J.M, Zheng, Y.
Deposit date:2013-10-31
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Click Modification of RNA at Adenosine: Structure and Reactivity of 7-Ethynyl- and 7-Triazolyl-8-aza-7-deazaadenosine in RNA.
Acs Chem.Biol., 9, 2014
4NFQ
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BU of 4nfq by Molmil
Crystal Structure Analysis of the 16mer GCAGNCUUAAGUCUGC containing 7-triazolyl-8-aza-7-deazaadenosine
Descriptor: GCAG(7AT)CUUAAGUCUGC
Authors:Beal, P.A, Fisher, A.J, Phelps, K.J, Ibarra-Soza, J.M, Zheng, Y.
Deposit date:2013-10-31
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Click Modification of RNA at Adenosine: Structure and Reactivity of 7-Ethynyl- and 7-Triazolyl-8-aza-7-deazaadenosine in RNA.
Acs Chem.Biol., 9, 2014
4NFO
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BU of 4nfo by Molmil
Crystal Structure Analysis of the 16mer GCAGACUUAAGUCUGC
Descriptor: GCAGACUUAAGUCUGC, SPERMINE
Authors:Beal, P.A, Fisher, A.J, Phelps, K.J, Ibarra-Soza, J.M, Zheng, Y.
Deposit date:2013-10-31
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Click Modification of RNA at Adenosine: Structure and Reactivity of 7-Ethynyl- and 7-Triazolyl-8-aza-7-deazaadenosine in RNA.
Acs Chem.Biol., 9, 2014
8IKU
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BU of 8iku by Molmil
Aldo-keto reductase KmAKR - W297H
Descriptor: NADPH-dependent alpha-keto amide reductase
Authors:Xu, S.Y, Zhou, L, Xu, Y, Wang, Y.J, Zheng, Y.G.
Deposit date:2023-03-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Aldo-keto reductase KmAKR - W297H from Kluyveromyces marxianus
To Be Published
5KCC
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BU of 5kcc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
4KT8
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BU of 4kt8 by Molmil
The complex structure of Rv3378c-Y51FY90F with substrate, TPP
Descriptor: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION
Authors:Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
Deposit date:2013-05-20
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
7DIY
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BU of 7diy by Molmil
Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain
Descriptor: MAGNESIUM ION, ZINC ION, nsp10 protein, ...
Authors:Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W.
Deposit date:2020-11-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
7ULU
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BU of 7ulu by Molmil
Human DDAH1 soaked with its inhibitor ClPyrAA
Descriptor: (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W.
Deposit date:2022-04-05
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
7VNQ
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BU of 7vnq by Molmil
Structure of human KCNQ4-ML213 complex in nanodisc
Descriptor: (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ...
Authors:Xu, F, Zheng, Y.
Deposit date:2021-10-11
Release date:2021-12-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
7VNR
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BU of 7vnr by Molmil
Structure of human KCNQ4-ML213 complex in digitonin
Descriptor: (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ...
Authors:Xu, F, Zheng, Y.
Deposit date:2021-10-11
Release date:2021-12-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
7VNP
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BU of 7vnp by Molmil
Structure of human KCNQ4-ML213 complex with PIP2
Descriptor: (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ...
Authors:Xu, F, Zheng, Y.
Deposit date:2021-10-11
Release date:2021-12-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
5H9D
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BU of 5h9d by Molmil
Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus
Descriptor: C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ...
Authors:Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-12-28
Release date:2016-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
7CQB
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BU of 7cqb by Molmil
Crystal structure of mutant of a Petase mutant
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-08-09
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of mutant of a Petase mutant
to be published
3S1S
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BU of 3s1s by Molmil
Characterization and crystal structure of the type IIG restriction endonuclease BpuSI
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ...
Authors:Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L.
Deposit date:2011-05-16
Release date:2011-07-13
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Nucleic Acids Res., 39, 2011
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
Descriptor: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
Authors:Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7XKS
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BU of 7xks by Molmil
Crystal structure of an alkaline pectate lyase from Bacillus clausii
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Pectate lyase
Authors:Zhou, C, Zheng, Y.Y, Liu, W.D, Ma, Y.
Deposit date:2022-04-20
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of an Alkaline Pectate Lyase and Rational Engineering with Improved Thermo-Alkaline Stability for Efficient Ramie Degumming.
Int J Mol Sci, 24, 2022
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
Descriptor: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
Authors:Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7V5S
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BU of 7v5s by Molmil
Crystal structure of human bleomycin hydrolase C73A mutant
Descriptor: Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5L
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BU of 7v5l by Molmil
Crystal structure of human bleomycin hydrolase
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-17
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5T
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BU of 7v5t by Molmil
Crystal structure of human bleomycin hydrolase C73S mutant
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7XF9
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BU of 7xf9 by Molmil
Crystal structure of human bleomycin hydrolase H372A mutant
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2022-04-01
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
8FPX
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BU of 8fpx by Molmil
Crystal structure of tumor related RhoA mutant A161P in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024

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