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5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
Authors:Johansson, E, Svensson, L.A.
Deposit date:2023-03-30
Release date:2023-07-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
4CIM
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BU of 4cim by Molmil
Complex of a Bcl-w BH3 mutant with a BH3 domain
Descriptor: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
6BNT
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BU of 6bnt by Molmil
Crystal structure of AP2 mu1 adaptin C-terminal domain with IRS-1 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Kikuchi, S, Choi, E, Yu, H.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mitotic regulators and the SHP2-MAPK pathway promote IR endocytosis and feedback regulation of insulin signaling.
Nat Commun, 10, 2019
7TNW
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BU of 7tnw by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2022-01-21
Release date:2022-02-16
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
7TO4
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BU of 7to4 by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2022-01-22
Release date:2022-02-16
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
8GD0
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BU of 8gd0 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-070-A6
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD1
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BU of 8gd1 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GJT
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BU of 8gjt by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-16
Release date:2023-06-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GCZ
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BU of 8gcz by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-090
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD5
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BU of 8gd5 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-102
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD3
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BU of 8gd3 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-09-12
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
6LGN
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BU of 6lgn by Molmil
The atomic structure of varicella zoster virus C-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Li, S, Zheng, Q.
Deposit date:2019-12-05
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
8V4X
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BU of 8v4x by Molmil
Structure of MALT1 in complex with an allosteric inhibitor
Descriptor: Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
Authors:Judge, R.A, Pappano, W.N.
Deposit date:2023-11-29
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma.
Mol.Cancer Ther., 23, 2024
6LGL
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BU of 6lgl by Molmil
The atomic structure of varicella-zoster virus A-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Zheng, Q, Li, S.
Deposit date:2019-12-05
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
8EIH
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BU of 8eih by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form I)
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIK
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BU of 8eik by Molmil
Cryo-EM structure of human DNMT3B homo-hexamer
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIJ
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BU of 8eij by Molmil
Cryo-EM structure of human DNMT3B homo-trimer
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
4LYN
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BU of 4lyn by Molmil
Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide
Descriptor: (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2
Authors:Sack, J.S.
Deposit date:2013-07-31
Release date:2013-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities
J.Med.Chem., 45, 2002
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
7KBB
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BU of 7kbb by Molmil
Cryo-EM structure of the HCMV pentamer bound by Fabs 2-18 and 8I21
Descriptor: 2-18 Fab Heavy Chain, 2-18 Fab Light Chain, 8I21 Fab Heavy Chain, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-10-01
Release date:2021-08-11
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
7KBA
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BU of 7kba by Molmil
Crystal structure of the HCMV pentamer-specific Fab 2-18
Descriptor: 2-18 Fab Heavy Chain, 2-18 Fab Light Chain
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-10-01
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022

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