1RYU
 
 | | Solution Structure of the SWI1 ARID | | Descriptor: | SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1 | | Authors: | Kim, S, Zhang, Z, Upchurch, S, Isern, N, Chen, Y. | | Deposit date: | 2003-12-22 | | Release date: | 2004-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and DNA-binding sites of the SWI1 AT-rich interaction domain (ARID) suggest determinants for sequence-specific DNA recognition.
J.Biol.Chem., 279, 2004
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6KI9
 | | Apo structure of FabMG, novel types of Enoyl-acyl carrier protein reductase | | Descriptor: | 1,2-ETHANEDIOL, FabMG, novel types of Enoyl-acyl carrier protein reductase, ... | | Authors: | Kim, S, Rhee, S. | | Deposit date: | 2019-07-17 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A triclosan-resistance protein from the soil metagenome is a novel enoyl-acyl carrier protein reductase: Structure-guided functional analysis.
Febs J., 287, 2020
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6KIA
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6IWB
 | | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
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7VID
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4LW4
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4LW2
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3ACP
 | | Crystal Structure of Yeast Rpn14, a Chaperone of the 19S Regulatory Particle of the Proteasome | | Descriptor: | WD repeat-containing protein YGL004C | | Authors: | Kim, S, Saeki, Y, Suzuki, A, Takagi, K, Fukunaga, K, Yamane, T, Kato, K, Tanaka, K, Mizushima, T. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of yeast Rpn14, a chaperone of the 19S regulatory particle of the proteasome
J.Biol.Chem., 285, 2010
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3OTP
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1SJ0
 | | Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D | | Descriptor: | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor | | Authors: | Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L. | | Deposit date: | 2004-03-02 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
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2MLP
 | | MICROCIN LEADER PEPTIDE FROM E. COLI, NMR, 25 STRUCTURES | | Descriptor: | MCBA PROPEPTIDE | | Authors: | Kim, S, Sinha Roy, R, Walsh, C.T, Baleja, J.D. | | Deposit date: | 1998-01-21 | | Release date: | 1998-07-22 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Role of the microcin B17 propeptide in substrate recognition: solution structure and mutational analysis of McbA1-26.
Chem.Biol., 5, 1998
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2QCZ
 | | Structure of N-terminal domain of E. Coli YaeT | | Descriptor: | Outer membrane protein assembly factor yaeT | | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | | Deposit date: | 2007-06-20 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine.
Science, 317, 2007
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2QDF
 | | Structure of N-terminal domain of E. Coli YaeT | | Descriptor: | MAGNESIUM ION, Outer membrane protein assembly factor yaeT | | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | | Deposit date: | 2007-06-20 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine.
Science, 317, 2007
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1R1A
 | | CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS SEROTYPE 1A (HRV1A) | | Descriptor: | HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP3), ... | | Authors: | Kim, S, Rossmann, M.G. | | Deposit date: | 1989-03-15 | | Release date: | 1990-07-15 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of human rhinovirus serotype 1A (HRV1A).
J.Mol.Biol., 210, 1989
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5Y9D
 | | Crystal structure of acyl-coA oxidase1 from Yarrowia lipolytica | | Descriptor: | Acyl-coenzyme A oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kim, S, Kim, K.-J. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into the substrate specificity of acyl-CoA oxidase1 from Yarrowia lipolytica for short-chain dicarboxylyl-CoAs.
Biochem. Biophys. Res. Commun., 495, 2018
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5YS9
 | | Crystal structure of acyl-coA oxidase3 from Yarrowia lipolytica | | Descriptor: | Acyl-coenzyme A oxidase 3, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kim, S, Kim, K.-J. | | Deposit date: | 2017-11-13 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Acyl-CoA Oxidase 3 fromYarrowia lipolyticawith Specificity for Short-Chain Acyl-CoA.
J. Microbiol. Biotechnol., 28, 2018
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human WDR5 in complex with MR4397
To be published
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9BHR
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
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9BHS
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
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8TRE
 | | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-09 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
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8GCY
 | | Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ... | | Authors: | Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-03-03 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
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7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
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8F8E
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1 | | Authors: | Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
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7SSE
 | | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
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7UW7
 | | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-05-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To Be Published
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