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2DCE
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BU of 2dce by Molmil
Solution structure of the SWIRM domain of human KIAA1915 protein
Descriptor: KIAA1915 protein
Authors:Yoneyama, M, Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-06
Release date:2006-07-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
2BNY
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BU of 2bny by Molmil
MS2 (N87A mutant) - RNA hairpin complex
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-04-06
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
Descriptor: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
2C63
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BU of 2c63 by Molmil
14-3-3 Protein Eta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN ETA, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-11-07
Release date:2005-11-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
8I88
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BU of 8i88 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA complex
Descriptor: Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein
Authors:Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-05
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
2C38
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BU of 2c38 by Molmil
RNase PH core of the archaeal exosome in complex with A5 RNA
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, ...
Authors:Lorentzen, E, Conti, E.
Deposit date:2005-10-04
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of 3' End RNA Recognition and Exoribonucleolytic Cleavage by an Exosome Rnase Ph Core.
Mol.Cell, 20, 2005
8WSV
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BU of 8wsv by Molmil
Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Descriptor: P-HYDROXYBENZOIC ACID, Transcriptional regulator HosA
Authors:Goswami, A, Raju, R, Kasarla, M, Ullah, S.
Deposit date:2023-10-17
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Biorxiv, 2024
7ACK
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BU of 7ack by Molmil
CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ...
Authors:Skerlova, J, Pachl, P, Rezacova, P.
Deposit date:2020-09-11
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
6OQI
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BU of 6oqi by Molmil
CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
Descriptor: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Murray, J.M.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6EKJ
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BU of 6ekj by Molmil
Crystal structure of mammalian Rev7 in complex with human Chromosome alignment-maintaining phosphoprotein 1
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Huber, F, Tropia, L, Emamzadah, S, Halazonetis, T.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mammalian Rev7 in complex with Champ1 - CAPS molecule
To Be Published
6EKL
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BU of 6ekl by Molmil
Crystal structure of mammalian Rev7 in complex with human Chromosome alignment-maintaining phosphoprotein 1
Descriptor: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Huber, F, Tropia, L, Emamzadah, S, Halazonetis, T.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mammalian Rev7 in complex with Champ1
To Be Published
5FM6
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BU of 5fm6 by Molmil
Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(apo)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, RVB1, ...
Authors:Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W.
Deposit date:2015-11-02
Release date:2016-01-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex.
Plos One, 11, 2016
6RVD
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BU of 6rvd by Molmil
Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6YL1
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BU of 6yl1 by Molmil
Cdk2(F80C) with Covalent Adduct TK37 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-06
Release date:2020-07-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6PCW
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BU of 6pcw by Molmil
Human PIM1 bound to benzothiophene inhibitor 213
Descriptor: 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ...
Authors:Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-18
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PIM1 bound to benzothiophene inhibitor
To Be Published
8QVU
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BU of 8qvu by Molmil
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
Descriptor: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
Deposit date:2023-10-18
Release date:2023-12-06
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
6YL6
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BU of 6yl6 by Molmil
Cdk2(F80C)
Descriptor: Cyclin-dependent kinase 2
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-06
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
8XZU
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BU of 8xzu by Molmil
HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.33 angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, P-HYDROXYBENZOIC ACID, Transcriptional regulator HosA
Authors:Manjunath, K, Goswami, A.
Deposit date:2024-01-21
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Horizontally acquired HosA transcription factor bound with 4-hydroxy-benzoic acid exhibits unique tug-of-water dynamics.
Biorxiv, 2024
8XB7
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BU of 8xb7 by Molmil
HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.6 angstrom resolution
Descriptor: P-HYDROXYBENZOIC ACID, Transcriptional regulator HosA
Authors:Goswami, A, Raju, R, Kasarla, M.
Deposit date:2023-12-06
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Biorxiv, 2024
6YLK
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BU of 6ylk by Molmil
Cdk2(F80C) with Covalent Adduct TK22 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-07
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6PDN
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BU of 6pdn by Molmil
Human PIM1 bound to benzothiophene inhibitor 292
Descriptor: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
Authors:Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-19
Release date:2019-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PIM1
To Be Published
6PDO
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BU of 6pdo by Molmil
Human PIM1 bound to benzothiophene inhibitor 354
Descriptor: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1
Authors:Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-19
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PIM1
To Be Published
5FM7
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BU of 5fm7 by Molmil
Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(ADP)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RVB1, RVB2
Authors:Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W.
Deposit date:2015-11-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex.
Plos One, 11, 2016
7AX1
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BU of 7ax1 by Molmil
Crystal structure of the human CCR4-CAF1 complex
Descriptor: CCR4-NOT transcription complex subunit 6, CCR4-NOT transcription complex subunit 7, MAGNESIUM ION
Authors:Chen, Y, Khazina, E, Weichenrieder, O.
Deposit date:2020-11-09
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure and functional properties of the human CCR4-CAF1 deadenylase complex.
Nucleic Acids Res., 49, 2021
6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
Descriptor: Regulator of RpoS
Authors:Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
Deposit date:2020-05-25
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020

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數據於2024-11-13公開中

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