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7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
Descriptor: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
Authors:Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
Deposit date:2020-12-22
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
5WO1
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BU of 5wo1 by Molmil
Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled)
Descriptor: CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5ZOG
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BU of 5zog by Molmil
Crystal Structure of R192F hFen1 in complex with DNA
Descriptor: DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ...
Authors:Han, W, Hua, Y, Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
6KP6
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BU of 6kp6 by Molmil
The structural study of mutation induced inactivation of Human muscarinic receptor M4
Descriptor: Muscarinic acetylcholine receptor M4,GlgA glycogen synthase,Muscarinic acetylcholine receptor M4
Authors:Wang, J.J, Wu, M, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2019-08-14
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural study of mutation-induced inactivation of human muscarinic receptor M4
Iucrj, 7, 2020
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XB1
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BU of 7xb1 by Molmil
Crystal structure of Omicron BA.3 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, W, Meng, Y, Liao, H.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
8W41
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BU of 8w41 by Molmil
Cryo-EM structure of Myosin VI in the autoinhibited state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-1, ...
Authors:Niu, F, Wei, Z.
Deposit date:2023-08-23
Release date:2024-02-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Autoinhibition and activation of myosin VI revealed by its cryo-EM structure.
Nat Commun, 15, 2024
6BBU
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BU of 6bbu by Molmil
Crystal Structure of JAK1 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6B76
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BU of 6b76 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LVR596
Descriptor: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6VFE
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BU of 6vfe by Molmil
Gasdermin D pore
Descriptor: Gasdermin-D, N-terminal
Authors:Xia, S, Ruan, J, Wu, H.
Deposit date:2020-01-03
Release date:2021-04-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
3SJQ
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BU of 3sjq by Molmil
Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin
Descriptor: 1-phenylurea, CALCIUM ION, Calmodulin, ...
Authors:Zhang, M, Pascal, J.M, Zhang, J.-F.
Deposit date:2011-06-21
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Bao, R, He, L.H, Liu, B.
Deposit date:2017-09-21
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018
6VYH
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BU of 6vyh by Molmil
Cryo-EM structure of SLC40/ferroportin in complex with Fab
Descriptor: 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ...
Authors:Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M.
Deposit date:2020-02-26
Release date:2020-11-11
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of ion transport and inhibition in ferroportin.
Nat Commun, 11, 2020
6AZJ
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BU of 6azj by Molmil
Crystal Structure of human NAMPT in complex with NVP-LQN520
Descriptor: (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-09-11
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B75
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BU of 6b75 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LOQ594
Descriptor: 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6TG5
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BU of 6tg5 by Molmil
Solution structure of MacpD, a acyl carrier protein, from Pseudomonas fluorescens involved in Mupirocin biosynthesis.
Descriptor: MacpD
Authors:Williams, C, Crump, M.P.
Deposit date:2019-11-15
Release date:2020-02-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Priming Cassette Generates Hydroxylated Acyl Starter Units in Mupirocin and Thiomarinol Biosynthesis.
Acs Chem.Biol., 15, 2020
7EFR
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BU of 7efr by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Lu, G.W, Ye, F, Lin, X.
Deposit date:2021-03-23
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
7EFP
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BU of 7efp by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Lu, G.W, Ye, F, Lin, X.
Deposit date:2021-03-22
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
Descriptor: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
Authors:Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
7YBJ
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BU of 7ybj by Molmil
SARS-CoV-2 Mu variant spike(close state)
Descriptor: Spike glycoprotein
Authors:Wang, X, Fu, W.
Deposit date:2022-06-29
Release date:2023-07-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022

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