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4S1S
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BU of 4s1s by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab of VRC01 light chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-02
Release date:2024-03-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
8YJF
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BU of 8yjf by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-01
Release date:2024-03-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
6LS9
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BU of 6ls9 by Molmil
Crystal structure of bovine herpesvirus 1 glycoprotein D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
8WYP
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BU of 8wyp by Molmil
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
Descriptor: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
Authors:Liu, B, Ma, X.
Deposit date:2023-10-31
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024
7DPX
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BU of 7dpx by Molmil
Crystal structure of the SRCR domain of human SCARA1/CD204
Descriptor: CALCIUM ION, Macrophage scavenger receptor types I and II
Authors:Cheng, C, He, Y.
Deposit date:2020-12-21
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Recognition of lipoproteins by scavenger receptor class A members.
J.Biol.Chem., 297, 2021
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
Descriptor: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
Descriptor: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
Descriptor: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
Descriptor: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-17
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-20
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
Descriptor: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Harris, S.F, Oh, A.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6ZBO
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BU of 6zbo by Molmil
HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat)
Descriptor: 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ...
Authors:Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J.
Deposit date:2020-06-08
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Chemmedchem, 16, 2021
6ZBN
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BU of 6zbn by Molmil
HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J.
Deposit date:2020-06-08
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Chemmedchem, 16, 2021
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
Descriptor: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4FZF
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BU of 4fzf by Molmil
Crystal structure of MST4-MO25 complex with DKI
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
Descriptor: BA7535 fab, Spike glycoprotein
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024

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