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2AIQ
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BU of 2aiq by Molmil
Crystal structure of benzamidine-inhibited protein C activator from the venom of copperhead snake Agkistrodon contortrix contortrix
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BENZAMIDINE, ...
Authors:Murakami, M.T, Arni, R.K.
Deposit date:2005-07-30
Release date:2005-09-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Thrombomodulin-independent Activation of Protein C and Specificity of Hemostatically Active Snake Venom Serine Proteinases: CRYSTAL STRUCTURES OF NATIVE AND INHIBITED AGKISTRODON CONTORTRIX CONTORTRIX PROTEIN C ACTIVATOR.
J.Biol.Chem., 280, 2005
2JEJ
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The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*CP*G)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P.
Deposit date:2007-01-17
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
2LBI
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BU of 2lbi by Molmil
N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal
Descriptor: (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3')
Authors:Huang, H, Kozekov, I.D, Wang, H, Kozekova, A, Rizzo, C.J, Stone, M.P.
Deposit date:2011-03-31
Release date:2012-04-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct.
J.Am.Chem.Soc., 133, 2011
1WMZ
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BU of 1wmz by Molmil
Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T.
Deposit date:2004-07-22
Release date:2004-09-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
J.Biol.Chem., 279, 2004
6I9L
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BU of 6i9l by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2018-11-23
Release date:2019-12-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
7JX0
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NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
5X8I
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BU of 5x8i by Molmil
Crystal structure of human CLK1 in complex with compound 25
Descriptor: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
Authors:Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
Deposit date:2017-03-02
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
7JWZ
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BU of 7jwz by Molmil
IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
1WU9
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BU of 1wu9 by Molmil
Crystal structure of the C-terminal domain of the end-binding protein 1 (EB1)
Descriptor: Microtubule-associated protein RP/EB family member 1
Authors:Honnappa, S, John, C.M, Kostrewa, D, Winkler, F.K, Steinmetz, M.O.
Deposit date:2004-12-02
Release date:2005-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into the EB1-APC interaction
Embo J., 24, 2005
3E2N
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BU of 3e2n by Molmil
Engineering ascorbate peroxidase activity into cytochrome c peroxidase
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L, Meharenna, Y.T, Oertel, P.
Deposit date:2008-08-05
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering ascorbate peroxidase activity into cytochrome c peroxidase.
Biochemistry, 47, 2008
1AUX
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BU of 1aux by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND
Descriptor: CALCIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SYNAPSIN IA
Authors:Esser, L, Wang, C, Deisenhofer, J.
Deposit date:1997-09-06
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
1OT4
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BU of 1ot4 by Molmil
Solution structure of Cu(II)-CopC from Pseudomonas syringae
Descriptor: COPPER (II) ION, Copper resistance protein C
Authors:Arnesano, F, Banci, L, Bertini, I, Felli, I.C, Luchinat, C, Thompsett, A.R, Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-21
Release date:2003-07-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A Strategy for the NMR Characterization of Type II Copper(II) Proteins: the Case of the Copper Trafficking Protein CopC from Pseudomonas Syringae.
J.Am.Chem.Soc., 125, 2003
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
Descriptor: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-25
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
1IH0
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BU of 1ih0 by Molmil
Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033
Descriptor: 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE, CALCIUM ION, TROPONIN C, ...
Authors:Wang, X, Li, M.X, Spyracopoulos, L, Beier, N, Chandra, M, Solaro, R.J, Sykes, B.D.
Deposit date:2001-04-18
Release date:2001-10-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033.
J.Biol.Chem., 276, 2001
2V07
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BU of 2v07 by Molmil
Structure of the Arabidopsis thaliana cytochrome c6A V52Q variant
Descriptor: CYTOCHROME C6, HEME C
Authors:Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J.
Deposit date:2007-05-09
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
1JAF
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BU of 1jaf by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION
Descriptor: CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE
Authors:Archer, M, Banci, L, Dikaya, E, Romao, M.J.
Deposit date:1997-06-24
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Cytochrome C' from Rhodocyclus Gelatinosus and Comparison with Other Cytochromes C'
J.Biol.Inorg.Chem., 2, 1997
378D
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BU of 378d by Molmil
STRUCTURE OF THE SIDE-BY-SIDE BINDING OF DISTAMYCIN TO DNA
Descriptor: DISTAMYCIN A, DNA (5'-D(*GP*TP*AP*TP*AP*TP*AP*C)-3'), SODIUM ION
Authors:Mitra, S.N, Wahl, M.C, Sundaralingam, M.
Deposit date:1998-01-28
Release date:1999-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the side-by-side binding of distamycin to d(GTATATAC)2.
Acta Crystallogr.,Sect.D, 55, 1999
5C4L
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BU of 5c4l by Molmil
Conformational alternate of sisomicin in complex with APH(2")-IVa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol, APH(2'')-Id
Authors:Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C.
Deposit date:2015-06-18
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study.
Biochim.Biophys.Acta, 1860, 2016
1OS5
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BU of 1os5 by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
Descriptor: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
Authors:Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2003-03-18
Release date:2004-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
4IEA
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BU of 4iea by Molmil
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
Descriptor: 14-3-3 protein sigma, RAF proto-oncogene serine/threonine-protein kinase
Authors:Molzan, M, Ottmann, C.
Deposit date:2012-12-13
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
2ISP
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BU of 2isp by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate
Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
2BT7
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BU of 2bt7 by Molmil
Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Cd crystal form
Descriptor: CADMIUM ION, SIGMA C, SULFATE ION
Authors:Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J.
Deposit date:2005-05-26
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac
J.Mol.Biol., 354, 2005
4LOH
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BU of 4loh by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOJ
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BU of 4loj by Molmil
Crystal structure of mSting in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
5OA3
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BU of 5oa3 by Molmil
Human 40S-eIF2D-re-initiation complex
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Weisser, M, Schaefer, T, Leibundgut, M, Boehringer, D, Aylett, C.H.S, Ban, N.
Deposit date:2017-06-20
Release date:2017-08-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural and Functional Insights into Human Re-initiation Complexes.
Mol. Cell, 67, 2017

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数据于2024-07-17公开中

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