3B3W
 
 | | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-22 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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3B7I
 | | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-30 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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1PLO
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2WGG
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1NO4
 | | Crystal Structure of the pre-assembly scaffolding protein gp7 from the double-stranded DNA bacteriophage phi29 | | Descriptor: | HEAD MORPHOGENESIS PROTEIN | | Authors: | Morais, M.C, Kanamaru, S, Badasso, M.O, Koti, J.S, Owen, B.A.L, McMurray, C.T, Anderson, D.L, Rossmann, M.G. | | Deposit date: | 2003-01-15 | | Release date: | 2003-07-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bacteriophage f29 scaffolding protein gp7 before and after prohead assembly
Nat.Struct.Biol., 10, 2003
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2VV7
 | | BJFIXLH IN UNLIGANDED FERROUS FORM | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL, ... | | Authors: | Ayers, R.A, Moffat, K. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
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8UXU
 | | Cryo-EM structure of a bacterial nitrilase filament with a covalent adduct derived from benzonitrile hydrolysis | | Descriptor: | Nitrilase, benzaldehyde | | Authors: | Aguirre-Sampieri, S, Casanal, A, Emsley, P, Garza-Ramos, G. | | Deposit date: | 2023-11-10 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Cryo-EM structure of bacterial nitrilase reveals insight into oligomerization, substrate recognition, and catalysis.
J.Struct.Biol., 216, 2024
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3BGJ
 | | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Covalently Modified by 6-iodo-UMP | | Descriptor: | GLYCEROL, URIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase | | Authors: | Liu, Y, Tang, H.L, Bello, A.M, Devalla, S, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-11-26 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Covalently Modified by 6-iodo-UMP
To be Published
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7LS3
 | | Co-complex CYP46A1 with 8114 (3f) | | Descriptor: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lane, W, Yano, J. | | Deposit date: | 2021-02-17 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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5EIL
 | | Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid | | Descriptor: | FE (III) ION, TRI-05 | | Authors: | Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D. | | Deposit date: | 2015-10-30 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational design of a homotrimeric metalloprotein with a trisbipyridyl core.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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4L29
 | | Structure of wtMHC class I with NY-ESO1 double mutant | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | Authors: | Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S. | | Deposit date: | 2013-06-04 | | Release date: | 2013-12-25 | | Last modified: | 2014-02-26 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
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8UMV
 | | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state I (state 5) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | | Authors: | Wang, F, He, Q, Li, H. | | Deposit date: | 2023-10-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7LRL
 | | Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | | Authors: | Lane, W, Yano, J. | | Deposit date: | 2021-02-16 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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8UMT
 | | Atomic model of the human CTF18-RFC-PCNA binary complex in the three-subunit binding state (state 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, MAGNESIUM ION, ... | | Authors: | Wang, F, He, Q, Li, H. | | Deposit date: | 2023-10-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3BBF
 | | Crystal structure of the NM23-H2 transcription factor complex with GDP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2007-11-09 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NM23-H2 may play an indirect role in transcriptional activation of c-myc gene expression but does not cleave the nuclease hypersensitive element III1.
Mol.Cancer Ther., 8, 2009
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4LYN
 | | 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
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7LS4
 | | Co-complex CYP46A1 with 9129 (1b) | | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone | | Authors: | Lane, W, Yano, J. | | Deposit date: | 2021-02-17 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
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8UN0
 | | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with cracked and closed PCNA (state 7) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | | Authors: | Wang, F, He, Q, Li, H. | | Deposit date: | 2023-10-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8UMY
 | | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state II (state 6) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | | Authors: | Wang, F, He, Q, Li, H. | | Deposit date: | 2023-10-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3DL9
 | | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2 | | Descriptor: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-26 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.721 Å) | | Cite: | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2.
To be Published
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1O5O
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5GAT
 | | SOLUTION NMR STRUCTURE OF THE WILD TYPE DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13BP DNA CONTAINING A CGATA SITE, 35 STRUCTURES | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*GP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ... | | Authors: | Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M. | | Deposit date: | 1997-11-07 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a fungal AREA protein-DNA complex: an alternative binding mode for the basic carboxyl tail of GATA factors.
J.Mol.Biol., 277, 1998
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3DY4
 | | Crystal structure of yeast 20S proteasome in complex with spirolactacystin | | Descriptor: | Omuralide, open form, Proteasome component C1, ... | | Authors: | Groll, M, Balskus, E, Jacobsen, E. | | Deposit date: | 2008-07-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
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1NOW
 | | Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine) | | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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8VD0
 | | Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80),MHC class II HLA-DQ-beta-1 chimera, ... | | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2023-12-14 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 2024
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