1GIC
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![BU of 1gic by Molmil](/molmil-images/mine/1gic) | CONCANAVALIN A COMPLEXED WITH METHYL ALPHA-D-GLUCOPYRANOSIDE | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ... | Authors: | Bradbrook, G.M, Gleichmann, T, Harrop, S.J, Helliwell, J.R, Habash, J, Kalb(Gilboa), A.J, Tong, L, Wan, T.C.M, Yariv, J. | Deposit date: | 1996-08-08 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure solution of a cubic crystal of concanavalin A complexed with methyl alpha-D-glucopyranoside. Acta Crystallogr.,Sect.D, 52, 1996
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3HUB
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![BU of 3hub by Molmil](/molmil-images/mine/3hub) | Human p38 MAP Kinase in Complex with Scios-469 | Descriptor: | 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-06-13 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
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3HV4
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![BU of 3hv4 by Molmil](/molmil-images/mine/3hv4) | Human p38 MAP Kinase in Complex with RL51 | Descriptor: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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6HEB
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![BU of 6heb by Molmil](/molmil-images/mine/6heb) | Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern). | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
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6HFC
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![BU of 6hfc by Molmil](/molmil-images/mine/6hfc) | Influenza A Virus N9 Neuraminidase Native (Tern). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-21 | Release date: | 2018-08-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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6HFY
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![BU of 6hfy by Molmil](/molmil-images/mine/6hfy) | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-22 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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3JYU
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![BU of 3jyu by Molmil](/molmil-images/mine/3jyu) | Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4) | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase | Authors: | Bacik, J.P, Avvakumov, G, Walker, J.R, Xue, S, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-22 | Release date: | 2009-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4) To be Published
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5TR8
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![BU of 5tr8 by Molmil](/molmil-images/mine/5tr8) | Crystal structure of vaccine-elicited pan- influenza H1N1 neutralizing murine antibody 441D6. | Descriptor: | 441D6 Fab Heavy chain, 441D6 Fab Light chain, NICKEL (II) ION | Authors: | Joyce, M.G, Kanekiyo, M, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2016-10-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mosaic nanoparticle display of diverse influenza virus hemagglutinins elicits broad B cell responses. Nat.Immunol., 20, 2019
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3K0W
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![BU of 3k0w by Molmil](/molmil-images/mine/3k0w) | Crystal structure of the tandem IG-like C2-type 2 domains of the human mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Descriptor: | CHLORIDE ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, isoform 2 | Authors: | Walker, J.R, Qiu, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-25 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Tandem Ig-Like C2-Type 2 Domains of the Human Mucosa-Associated Lymphoid Tissue Lymphoma Translocation Protein 1. To be Published
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6KMX
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![BU of 6kmx by Molmil](/molmil-images/mine/6kmx) | Structure of PSI from H. hongdechloris grown under far-red light condition | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-08-01 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Structural basis for the adaptation and function of chlorophyll f in photosystem I. Nat Commun, 11, 2020
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4Z02
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![BU of 4z02 by Molmil](/molmil-images/mine/4z02) | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | Authors: | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-25 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid to be published
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4Z4P
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![BU of 4z4p by Molmil](/molmil-images/mine/4z4p) | Structure of the MLL4 SET Domain | Descriptor: | Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R. | Deposit date: | 2015-04-02 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolving Catalytic Properties of the MLL Family SET Domain. Structure, 23, 2015
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6HUL
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![BU of 6hul by Molmil](/molmil-images/mine/6hul) | Sulfolobus solfataricus Tryptophan Synthase AB Complex | Descriptor: | PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | Authors: | Fleming, J.R, Mayans, O. | Deposit date: | 2018-10-08 | Release date: | 2018-11-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole. J.Mol.Biol., 430, 2018
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8DQ0
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![BU of 8dq0 by Molmil](/molmil-images/mine/8dq0) | Quorum-sensing receptor RhlR bound to PqsE | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, RhlR protein | Authors: | Paczkowski, J.E, Fromme, J.C, Feathers, J.R. | Deposit date: | 2022-07-18 | Release date: | 2022-12-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation. Structure, 30, 2022
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8DQ1
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![BU of 8dq1 by Molmil](/molmil-images/mine/8dq1) | Quorum-sensing receptor RhlR bound to PqsE | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, DNA (5'-D(*AP*CP*CP*TP*GP*CP*CP*AP*GP*AP*CP*TP*GP*CP*AP*CP*AP*G)-3'), ... | Authors: | Paczkowski, J.E, Fromme, J.C, Feathers, J.R. | Deposit date: | 2022-07-18 | Release date: | 2022-12-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the RhlR-PqsE complex from Pseudomonas aeruginosa reveals mechanistic insights into quorum-sensing gene regulation. Structure, 30, 2022
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4YAR
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![BU of 4yar by Molmil](/molmil-images/mine/4yar) | 2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H | Descriptor: | 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2015-02-17 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase. J.Am.Chem.Soc., 137, 2015
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6IRI
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![BU of 6iri by Molmil](/molmil-images/mine/6iri) | |
8EDW
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![BU of 8edw by Molmil](/molmil-images/mine/8edw) | Cryo-EM Structure of human ABCA7 in BPL/Ch Nanodiscs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | Deposit date: | 2022-09-06 | Release date: | 2022-12-21 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms. Embo J., 42, 2023
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3HV3
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![BU of 3hv3 by Molmil](/molmil-images/mine/3hv3) | Human p38 MAP Kinase in Complex with RL49 | Descriptor: | 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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3HUC
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![BU of 3huc by Molmil](/molmil-images/mine/3huc) | Human p38 MAP Kinase in Complex with RL40 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-13 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
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3HV7
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![BU of 3hv7 by Molmil](/molmil-images/mine/3hv7) | Human p38 MAP Kinase in Complex with RL38 | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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8E3D
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![BU of 8e3d by Molmil](/molmil-images/mine/8e3d) | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia. J.Biol.Chem., 299, 2023
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4Y76
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![BU of 4y76 by Molmil](/molmil-images/mine/4y76) | Factor Xa complex with GTC000401 | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y79
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![BU of 4y79 by Molmil](/molmil-images/mine/4y79) | Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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8E3E
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![BU of 8e3e by Molmil](/molmil-images/mine/8e3e) | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10) | Descriptor: | DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia. J.Biol.Chem., 299, 2023
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