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5EI0
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Structure of RCL-cleaved vaspin (serpinA12)
分子名称: Serpin A12
著者Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N.
登録日2015-10-29
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of cleaved vaspin (serpinA12).
Biol.Chem., 397, 2016
6HTY
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BU of 6hty by Molmil
PXR in complex with P2X4 inhibitor compound 25
分子名称: (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S.
登録日2018-10-05
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
5AH5
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BU of 5ah5 by Molmil
Crystal structure of the ternary complex of Agrobacterium radiobacter K84 agnB2 LeuRS-tRNA-LeuAMS
分子名称: 5'-O-(L-leucylsulfamoyl)adenosine, LEUCINE--TRNA LIGASE, MANGANESE (II) ION, ...
著者Palencia, A, Chopra, S, Virus, C, Schulwitz, S, Temple, B.R, Cusack, S, Reader, J.S.
登録日2015-02-05
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Antibiotic Self-Immunity tRNA Synthetase in Plant Tumour Biocontrol Agent.
Nat.Commun., 7, 2016
1RYU
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BU of 1ryu by Molmil
Solution Structure of the SWI1 ARID
分子名称: SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1
著者Kim, S, Zhang, Z, Upchurch, S, Isern, N, Chen, Y.
登録日2003-12-22
公開日2004-05-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1CM5
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BU of 1cm5 by Molmil
CRYSTAL STRUCTURE OF C418A,C419A MUTANT OF PFL FROM E.COLI
分子名称: CARBONATE ION, PROTEIN (PYRUVATE FORMATE-LYASE), SODIUM ION
著者Becker, A, Fritz-Wolf, K, Kabsch, W, Knappe, J, Schultz, S, Wagner, A.F.V.
登録日1999-05-14
公開日1999-12-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase.
Nat.Struct.Biol., 6, 1999
4XR7
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BU of 4xr7 by Molmil
Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex
分子名称: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3
著者Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E.
登録日2015-01-20
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.796 Å)
主引用文献The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
6Z1B
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BU of 6z1b by Molmil
Structure of K52-acetylated RutR in complex with uracil.
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator RutR, URACIL
著者Kremer, M, Schulze, S, Lammers, M.
登録日2020-05-13
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of K52-acetylated RutR in complex with uracil.
To Be Published
4Y3K
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BU of 4y3k by Molmil
Structure of Vaspin mutant E379S
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12
著者Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T.
登録日2015-02-10
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
4Y40
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BU of 4y40 by Molmil
Structure of Vaspin mutant D305C V383C
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12
著者Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T.
登録日2015-02-10
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
4Y72
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BU of 4y72 by Molmil
Human CDK1/CyclinB1/CKS2 With Inhibitor
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-13
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
4YC3
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BU of 4yc3 by Molmil
CDK1/CyclinB1/CKS2 Apo
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-19
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
4YC6
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BU of 4yc6 by Molmil
CDK1/CKS1
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-19
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
5HQ0
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BU of 5hq0 by Molmil
Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A.
登録日2016-01-21
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
6BNS
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BU of 6bns by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES
分子名称: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera
著者DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H.
登録日2017-11-17
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
3KP9
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BU of 3kp9 by Molmil
Structure of a bacterial homolog of vitamin K epoxide reductase
分子名称: MERCURY (II) ION, UBIQUINONE-10, VKORC1/thioredoxin domain protein
著者Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A.
登録日2009-11-16
公開日2010-02-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of a bacterial homologue of vitamin K epoxide reductase.
Nature, 463, 2010
3KP8
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BU of 3kp8 by Molmil
The thioredoxin-like domain of a VKOR homolog from Synechococcus sp.
分子名称: VKORC1/thioredoxin domain protein
著者Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A.
登録日2009-11-15
公開日2010-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure of a bacterial homologue of vitamin K epoxide reductase.
Nature, 463, 2010
5LQF
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BU of 5lqf by Molmil
CDK1/CyclinB1/CKS2 in complex with NU6102
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
登録日2016-08-17
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5NEV
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BU of 5nev by Molmil
CDK2/Cyclin A in complex with compound 73
分子名称: 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G.
登録日2017-03-12
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
6R9T
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BU of 6r9t by Molmil
Cryo-EM structure of autoinhibited human talin-1
分子名称: Talin-1
著者Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N.
登録日2019-04-04
公開日2019-10-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献The Architecture of Talin1 Reveals an Autoinhibition Mechanism.
Cell, 179, 2019
6GU6
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BU of 6gu6 by Molmil
CDK1/Cks2 in complex with Dinaciclib
分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GU4
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CDK1/CyclinB/Cks2 in complex with CGP74514A
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUH
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CDK2 in complex with AZD5438
分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUC
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CDK2/CyclinA in complex with SU9516
分子名称: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUK
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CDK2 in complex with CGP74514A
分子名称: Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUE
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BU of 6gue by Molmil
CDK2/CyclinA in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019

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