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7FON
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BU of 7fon by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, N-(2-aminoethyl)-2-cyclohexylacetamide, ...
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FOY
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BU of 7foy by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E10 from the F2X-Universal Library
Descriptor: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FP6
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BU of 7fp6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 from the F2X-Universal Library
Descriptor: (3R)-3-amino-3-phenylpropanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7FPC
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BU of 7fpc by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09D07 from the F2X-Universal Library
Descriptor: ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5DFC
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BU of 5dfc by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound
Descriptor: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ...
Authors:Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
Deposit date:2015-08-26
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
6NXL
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BU of 6nxl by Molmil
Ubiquitin binding variants
Descriptor: Polyubiquitin-B
Authors:Miller, D.J, Watson, E.R.
Deposit date:2019-02-08
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KOR
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BU of 6kor by Molmil
Crystal structure of the RRM domain of SYNCRIP
Descriptor: Heterogeneous nuclear ribonucleoprotein Q
Authors:Chen, Y, Chan, J, Chen, W, Jobichen, C.
Deposit date:2019-08-12
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:SYNCRIP, a new player in pri-let-7a processing.
Rna, 26, 2020
6QBA
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BU of 6qba by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D.
Deposit date:2018-12-20
Release date:2020-06-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
6DRC
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BU of 6drc by Molmil
High IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-08-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
8S5I
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BU of 8s5i by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, basal state, single particle reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5L
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BU of 8s5l by Molmil
Full-length human cystathionine beta-synthase, basal state, partially degraded tetramer
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5J
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BU of 8s5j by Molmil
Full-length human cystathionine beta-synthase, basal state, helical reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5K
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BU of 8s5k by Molmil
Full-length human cystathionine beta-synthase, basal state, single particle reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
2YQC
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BU of 2yqc by Molmil
Crystal Structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the apo-like form
Descriptor: GLYCEROL, MAGNESIUM ION, UDP-N-acetylglucosamine pyrophosphorylase
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
8S5M
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BU of 8s5m by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, SAM bound, activated state, helical reconstruction
Descriptor: Cystathionine beta-synthase, S-ADENOSYLMETHIONINE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
5E1W
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BU of 5e1w by Molmil
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the ligand free form
Descriptor: Transcriptional regulator, MarR family
Authors:Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2015-09-30
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
to be published
2TMN
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BU of 2tmn by Molmil
CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
Descriptor: CALCIUM ION, N~2~-phosphono-L-leucinamide, Thermolysin, ...
Authors:Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
Deposit date:1987-06-29
Release date:1989-01-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
3EB6
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BU of 3eb6 by Molmil
Structure of the cIAP2 RING domain bound to UbcH5b
Descriptor: Baculoviral IAP repeat-containing protein 3, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Mace, P.D, Linke, K, Schumacher, F.-R, Smith, C.A, Day, C.L.
Deposit date:2008-08-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of the cIAP2 RING Domain Reveal Conformational Changes Associated with Ubiquitin-conjugating Enzyme (E2) Recruitment.
J.Biol.Chem., 283, 2008
6DQS
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BU of 6dqs by Molmil
Class 3 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-08-01
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
7LGM
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BU of 7lgm by Molmil
Cyanophycin synthetase from A. baylyi DSM587 with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase
Authors:Sharon, I, Haque, A.S, Lahiri, I, Leschziner, A, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LG5
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BU of 7lg5 by Molmil
Synechocystis sp. UTEX2470 Cyanophycin synthetase 1 with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, MAGNESIUM ION
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2021-01-19
Release date:2021-08-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LGN
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BU of 7lgn by Molmil
Cyanophycin synthetase 1 from T. morbirosei
Descriptor: Cyanophycin synthase
Authors:Sharon, I, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LGQ
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BU of 7lgq by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn
Descriptor: 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LGJ
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BU of 7lgj by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ADPCP and 8x(Asp-Arg)-NH2
Descriptor: 8x(Asp-Arg)-NH2, Cyanophycin synthase, MAGNESIUM ION, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
2SEM
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BU of 2sem by Molmil
SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
Descriptor: PROTEIN (SEX MUSCLE ABNORMAL PROTEIN 5), PROTEIN (SH3 PEPTOID INHIBITOR)
Authors:Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A.
Deposit date:1998-11-02
Release date:1999-01-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998

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