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7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
Descriptor: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
Descriptor: Regulatory protein NPR1, ZINC ION
Authors:Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
Deposit date:2021-04-21
Release date:2022-03-16
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7MK3
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BU of 7mk3 by Molmil
Crystal structure of NPR1
Descriptor: CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ...
Authors:Cheng, J, Wu, Q, Zhou, P.
Deposit date:2021-04-21
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8JSW
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BU of 8jsw by Molmil
Human VMAT2 complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTA
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BU of 8jta by Molmil
Human VMAT2 complex with tetrabenazine
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JT9
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BU of 8jt9 by Molmil
Human VMAT2 complex with ketanserin
Descriptor: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTC
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BU of 8jtc by Molmil
Human VMAT2 complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
4LM7
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BU of 4lm7 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with UMP
Descriptor: Nucleoprotein, URIDINE-5'-MONOPHOSPHATE
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-10
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4KXJ
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BU of 4kxj by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with PJ34
Descriptor: Nucleoprotein, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
Authors:Lin, S.Y, Hou, M.H.
Deposit date:2013-05-27
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4LI4
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BU of 4li4 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Nucleoprotein
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4LM9
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BU of 4lm9 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Nucleoprotein
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-10
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4LMC
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BU of 4lmc by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with CMP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Nucleoprotein
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-10
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
7V40
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BU of 7v40 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2
Descriptor: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V42
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BU of 7v42 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol.
Descriptor: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
4ONM
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BU of 4onm by Molmil
Crystal structure of human Mms2/Ubc13 - NSC697923
Descriptor: 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4OUM
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BU of 4oum by Molmil
Crystal structure of human Caprin-2 C1q domain
Descriptor: CITRATE ANION, Caprin-2, ISOPROPYL ALCOHOL, ...
Authors:Song, X, Li, L.
Deposit date:2014-02-18
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
4ONN
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BU of 4onn by Molmil
Crystal structure of human Mms2/Ubc13 - BAY 11-7082
Descriptor: 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4OUS
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BU of 4ous by Molmil
Crystal structure of zebrafish Caprin-2 C1q domain
Descriptor: CALCIUM ION, Caprin-2
Authors:Song, X, Li, L.
Deposit date:2014-02-18
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
4ONL
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BU of 4onl by Molmil
Crystal structure of human Mms2/Ubc13_D81N, R85S, A122V, N123P
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
4OUL
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BU of 4oul by Molmil
Crystal structure of human Caprin-2 C1q domain
Descriptor: CALCIUM ION, Caprin-2, GLYCEROL
Authors:Song, X, Li, L.
Deposit date:2014-02-17
Release date:2014-10-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
8JGT
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BU of 8jgt by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
Descriptor: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGW
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BU of 8jgw by Molmil
Crystal structure of Klebsiella pneumoniae exopolyphosphatase
Descriptor: Exopolyphosphatase, GLYCEROL, MAGNESIUM ION, ...
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGQ
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BU of 8jgq by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with P5
Descriptor: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGR
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BU of 8jgr by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase in the presence of Pi
Descriptor: Exopolyphosphatase, PHOSPHATE ION, POTASSIUM ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024

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PDB entries from 2024-07-17

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