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4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
1QS2
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BU of 1qs2 by Molmil
CRYSTAL STRUCTURE OF VIP2 WITH NAD
Descriptor: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
1QS1
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BU of 1qs1 by Molmil
CRYSTAL STRUCTURE OF VEGETATIVE INSECTICIDAL PROTEIN2 (VIP2)
Descriptor: ADP-RIBOSYLTRANSFERASE
Authors:Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
2H2A
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BU of 2h2a by Molmil
Crystal structure of Nicotinic acid mononucleotide adenylyltransferase from Staphylococcus aureus: product bound form 2
Descriptor: CALCIUM ION, GLYCEROL, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
2H29
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BU of 2h29 by Molmil
Crystal structure of Nicotinic acid mononucleotide Adenylyltransferase from Staphylococcus aureus: product bound form 1
Descriptor: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
4PJZ
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BU of 4pjz by Molmil
CRYSTAL STRUCTURE OF T4 LYSOZYME-GSS-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Han, S, Le, B.V, Hajare, H, Baxter, R.H.G, Miller, S.J.
Deposit date:2014-05-13
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:X-ray Crystal Structure of Teicoplanin A2-2 Bound to a Catalytic Peptide Sequence via the Carrier Protein Strategy.
J.Org.Chem., 79, 2014
4PK0
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BU of 4pk0 by Molmil
CRYSTAL STRUCTURE OF T4 LYSOZYME-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Han, S, Le, B.V, Hajare, H, Baxter, R.H.G, Miller, S.J.
Deposit date:2014-05-13
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray Crystal Structure of Teicoplanin A2-2 Bound to a Catalytic Peptide Sequence via the Carrier Protein Strategy.
J.Org.Chem., 79, 2014
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-03-16
Release date:2016-05-25
Last modified:2019-09-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5G04
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BU of 5g04 by Molmil
Structure of the human APC-Cdc20-Hsl1 complex
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-03-16
Release date:2016-05-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5WPI
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BU of 5wpi by Molmil
The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase
Descriptor: 1,2-ETHANEDIOL, HsvA
Authors:Shanker, S, Lawton, J.
Deposit date:2017-08-04
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase.
J. Biol. Chem., 292, 2017
8GWR
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BU of 8gwr by Molmil
Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)
Descriptor: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one, Glutaminase kidney isoform, mitochondrial
Authors:Shankar, S, Jobichen, C, Sivaraman, J.
Deposit date:2022-09-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A novel allosteric site employs a conserved inhibition mechanism in human kidney-type glutaminase.
Febs J., 290, 2023
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
Descriptor: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
Authors:Hansen, S, Hannoush, R.N.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
7B0Y
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BU of 7b0y by Molmil
Structure of a transcribing RNA polymerase II-U1 snRNP complex
Descriptor: 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ...
Authors:Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P.
Deposit date:2020-11-23
Release date:2021-01-13
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of a transcribing RNA polymerase II-U1 snRNP complex.
Science, 371, 2021
8J2W
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BU of 8j2w by Molmil
Saccharothrix syringae photocobilins protein, dark state
Descriptor: 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ...
Authors:Zhang, S, Poddar, H, Levy, W.C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2Y
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BU of 8j2y by Molmil
Acidimicrobiaceae bacterium photocobilins protein, dark state
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, S, Poddar, H, Levy, W.C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2X
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BU of 8j2x by Molmil
Saccharothrix syringae photocobilins protein, light state
Descriptor: BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ...
Authors:Zhang, S, Poddar, H, Levy, C, Leys, D.
Deposit date:2023-04-15
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8HY5
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BU of 8hy5 by Molmil
Structure of D-amino acid oxidase mutant R38H
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, D-amino-acid oxidase, ...
Authors:Khan, S, Upadhyay, S, Dave, U, Kumar, A, Gomes, J.
Deposit date:2023-01-05
Release date:2023-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic insights into ALS patient derived mutations in D-amino acid oxidase.
Int.J.Biol.Macromol., 256, 2023
6Q6H
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BU of 6q6h by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D2 box class
Descriptor: Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 13, ...
Authors:Zhang, S, Barford, D.
Deposit date:2018-12-11
Release date:2019-09-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
6Q6G
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BU of 6q6g by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class
Descriptor: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Zhang, S, Barford, D.
Deposit date:2018-12-11
Release date:2019-09-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
6FDF
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BU of 6fdf by Molmil
Crystal structure of S. pombe Dnmt2 methyltransferase
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (cytosine(38)-C(5))-methyltransferase
Authors:Johannsson, S, Neumann, P, Ficner, R.
Deposit date:2017-12-22
Release date:2018-06-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Structural insights into the stimulation of S. pombe Dnmt2 catalytic efficiency by the tRNA nucleoside queuosine.
Sci Rep, 8, 2018
6VGS
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BU of 6vgs by Molmil
Alpha-ketoisovalerate decarboxylase (KivD) from Lactococcus lactis, thermostable mutant
Descriptor: Alpha-keto acid decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Chan, S, Korman, T.P, Sawaya, M.R, Bowie, J.U.
Deposit date:2020-01-08
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isobutanol production freed from biological limits using synthetic biochemistry.
Nat Commun, 11, 2020

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数据于2024-07-24公开中

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