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5R9Z
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PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13502a in complex with MAP kinase p38-alpha
Descriptor: 2-[(4-chlorophenyl)amino]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
4I80
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Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
Descriptor: Menin, macrocyclic peptidomimetic
Authors:Huang, J, Lei, M.
Deposit date:2012-12-01
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013
4IQJ
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BU of 4iqj by Molmil
Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome
Descriptor: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*GP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*CP*G)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DOC))-3'), ...
Authors:Liu, B, Lin, J, Steitz, T.
Deposit date:2013-01-11
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome
Structure, 21, 2013
6XU2
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BU of 6xu2 by Molmil
Human karyopherin RanBP5 (isoform-3)
Descriptor: Antipain, Importin-5, NICKEL (II) ION
Authors:Swale, C, McCarthy, A.A, Berger, I, Bieniossek, C, Delmas, B, Ruigrok, R.W.H, Crepin, T.
Deposit date:2020-01-17
Release date:2020-04-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.834 Å)
Cite:X-ray Structure of the Human Karyopherin RanBP5, an Essential Factor for Influenza Polymerase Nuclear Trafficking.
J.Mol.Biol., 432, 2020
6XTE
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BU of 6xte by Molmil
Human karyopherin RanBP5 (isoform-1)
Descriptor: Antipain, CHLORIDE ION, Importin-5, ...
Authors:Swale, C, McCarthy, A.A, Ruigrok, R.W.H, Crepin, T.
Deposit date:2020-01-16
Release date:2020-04-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:X-ray Structure of the Human Karyopherin RanBP5, an Essential Factor for Influenza Polymerase Nuclear Trafficking.
J.Mol.Biol., 432, 2020
2JZ3
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BU of 2jz3 by Molmil
SOCS box elonginBC ternary complex
Descriptor: Suppressor of cytokine signaling 3, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2
Authors:Babon, J.J, Sabo, J, Soetopo, A, Yao, S, Bailey, M.F, Zhang, J, Nicola, N.A, Norton, R.S.
Deposit date:2007-12-27
Release date:2008-09-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The SOCS box domain of SOCS3: structure and interaction with the elonginBC-cullin5 ubiquitin ligase
J.Mol.Biol., 381, 2008
5JZE
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BU of 5jze by Molmil
Erve virus viral OTU domain protease in complex with mouse ISG15
Descriptor: CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ...
Authors:Deaton, M.K, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-05-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
5C2K
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BU of 5c2k by Molmil
Crystal structure of the fusion protein linked by RhoA and the GAP domain of MgcRacGAP
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Murayama, K, Kato-Murayama, M, Hosaka, T, Kitamura, T, Yokoyama, S, Shirouzu, M.
Deposit date:2015-06-16
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural basis of G-protein target alternation of MgcRacGAP by phospholylation
To Be Published
7ZY4
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BU of 7zy4 by Molmil
Crystal structure of human CstF77 in complex with hFip1
Descriptor: Cleavage stimulation factor subunit 3, GLYCEROL, hFip1
Authors:Muckenfuss, L.M, Jinek, M.
Deposit date:2022-05-23
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3' end biogenesis.
Elife, 11, 2022
8FLK
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Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2
Descriptor: 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP
Authors:Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
8FLM
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BU of 8flm by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53
Descriptor: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ...
Authors:Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
3H7H
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BU of 3h7h by Molmil
Crystal structure of the human transcription elongation factor DSIF, hSpt4/hSpt5 (176-273)
Descriptor: BETA-MERCAPTOETHANOL, Transcription elongation factor SPT4, Transcription elongation factor SPT5, ...
Authors:Wenzel, S, Wohrl, B.M, Rosch, P, Martins, B.M.
Deposit date:2009-04-27
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the human transcription elongation factor DSIF hSpt4 subunit in complex with the hSpt5 dimerization interface
Biochem.J., 425, 2010
6UEI
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BU of 6uei by Molmil
Crystal structure of human zinc finger antiviral protein
Descriptor: ZINC ION, Zinc finger CCCH-type antiviral protein 1
Authors:Meagher, J.L, Smith, J.L.
Deposit date:2019-09-21
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of the zinc-finger antiviral protein in complex with RNA reveals a mechanism for selective targeting of CG-rich viral sequences.
Proc.Natl.Acad.Sci.USA, 116, 2019
6B3E
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BU of 6b3e by Molmil
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ...
Authors:Ferguson, A.D.
Deposit date:2017-09-21
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
6UX2
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BU of 6ux2 by Molmil
Crystal structure of ZIKV RdRp in complex with STAT2
Descriptor: Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ...
Authors:Wang, B, Song, J.
Deposit date:2019-11-06
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
2GD7
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BU of 2gd7 by Molmil
The Structure of the Cyclin T-binding domain of Hexim1 reveals the molecular basis for regulation of transcription elongation
Descriptor: HEXIM1 protein
Authors:Dames, S.A.
Deposit date:2006-03-15
Release date:2007-06-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Cyclin T binding domain of Hexim1 and molecular basis for its recognition of P-TEFb.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1RVF
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BU of 1rvf by Molmil
FAB COMPLEXED WITH INTACT HUMAN RHINOVIRUS
Descriptor: FAB 17-IA, HUMAN RHINOVIRUS 14 COAT PROTEIN
Authors:Smith, T.J.
Deposit date:1996-09-05
Release date:1998-02-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4 Å)
Cite:Neutralizing antibody to human rhinovirus 14 penetrates the receptor-binding canyon.
Nature, 383, 1996
4F7T
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BU of 4f7t by Molmil
Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F.
Deposit date:2012-05-16
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
1TZY
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BU of 1tzy by Molmil
Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Descriptor: CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ...
Authors:Wood, C.M, Nicholson, J.M, Chantalat, L, Reynolds, C.D, Lambert, S.J, Baldwin, J.P.
Deposit date:2004-07-12
Release date:2004-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structure of the native histone octamer.
Acta Crystallogr.,Sect.F, 61, 2005
1B72
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BU of 1b72 by Molmil
PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX
Descriptor: DNA (5'-D(*AP*CP*TP*CP*TP*AP*TP*GP*AP*TP*TP*GP*AP*TP*CP*GP*GP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*CP*GP*AP*TP*CP*AP*AP*TP*CP*AP*TP*AP*GP*AP*G)-3'), PROTEIN (HOMEOBOX PROTEIN HOX-B1), ...
Authors:Piper, D.E, Batchelor, A.H, Chang, C.-P, Cleary, M.L, Wolberger, C.
Deposit date:1999-01-27
Release date:1999-02-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a HoxB1-Pbx1 heterodimer bound to DNA: role of the hexapeptide and a fourth homeodomain helix in complex formation.
Cell(Cambridge,Mass.), 96, 1999
1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
Descriptor: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
Authors:Oren, D.A, Zhang, A, Arnold, E.
Deposit date:1996-02-26
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
6EQY
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BU of 6eqy by Molmil
4th KOW domain of human hSpt5
Descriptor: Transcription elongation factor SPT5
Authors:Zuber, P.K, Schweimer, K, Roesch, P, Woehrl, B.M.
Deposit date:2017-10-16
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
7AHX
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BU of 7ahx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-25
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AII
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BU of 7aii by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIG
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BU of 7aig by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021

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