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6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
7E34
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BU of 7e34 by Molmil
Crystal structure of SUN1-Speedy A-CDK2
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
Authors:Chen, Y, Huang, C, Wu, J, Lei, M.
Deposit date:2021-02-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
8GV5
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BU of 8gv5 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV6
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BU of 8gv6 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV7
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BU of 8gv7 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H18 A/flat-faced bat/Peru/033/2010
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H18-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV4
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BU of 8gv4 by Molmil
A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28
Descriptor: PN-SIA28 heavy chain, PN-SIA28 light chain
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
3RSN
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BU of 3rsn by Molmil
Crystal Structure of the N-terminal region of Human Ash2L
Descriptor: Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION
Authors:Chen, Y, Wan, B, Wang, K.C, Cao, F, Yang, Y, Protacio, A, Dou, Y, Chang, H.Y, Lei, M.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the N-terminal region of human Ash2L shows a winged-helix motif involved in DNA binding.
Embo Rep., 12, 2011
3OWT
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BU of 3owt by Molmil
Crystal structure of S. cerevisiae RAP1-Sir3 complex
Descriptor: DNA-binding protein RAP1, Regulatory protein SIR3
Authors:Chen, Y, Yang, Y, Lei, M.
Deposit date:2010-09-20
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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BU of 5x8g by Molmil
Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
7WVD
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BU of 7wvd by Molmil
Crystal structure of H14 complexed with SIA28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVI
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BU of 7wvi by Molmil
Crystal structure of SIA28
Descriptor: Heavy chain of SIA28, Light chain of SIA28
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVG
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BU of 7wvg by Molmil
Crystal structure of H18 complexed with SIA28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
Descriptor: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
7WVB
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BU of 7wvb by Molmil
Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
Descriptor: Fructose-1,6-bisphosphatase 1
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2022-02-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
To Be Published
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7DDC
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BU of 7ddc by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine
Descriptor: 3C-like proteinase, Tafenoquine
Authors:Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C.
Deposit date:2020-10-28
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
7UL0
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BU of 7ul0 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ...
Authors:Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7WBO
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BU of 7wbo by Molmil
Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Chen, Y, Jin, T, Liu, G.
Deposit date:2021-12-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
6JTK
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BU of 6jtk by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
Descriptor: 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide, Beta-hexosaminidase
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
To Be Published
6JTJ
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BU of 6jtj by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of native NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
To Be Published
6LQX
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BU of 6lqx by Molmil
Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7
Descriptor: (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION
Authors:Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C.
Deposit date:2020-01-14
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects
To Be Published
6JTI
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BU of 6jti by Molmil
Crystal structure of native NagZ from Neisseria gonorrhoeae
Descriptor: Beta-hexosaminidase
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of native NagZ from Neisseria gonorrhoeae
To Be Published
6JTL
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BU of 6jtl by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
Descriptor: Beta-hexosaminidase, ZINC ION
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
To Be Published

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數據於2024-05-08公開中

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