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PDB: 3278 件

1O3P
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE, CITRIC ACID, Urokinase-type plasminogen activator
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1OBQ
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Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry
分子名称: CRUSTACYANIN C1 SUBUNIT
著者Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R.
登録日2003-01-31
公開日2003-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
5VBT
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Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
分子名称: UBH04
著者DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2017-03-30
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
to be published
1O5B
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Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA)
J.Mol.Biol., 344, 2004
1OBU
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Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry
分子名称: CRUSTACYANIN C1 SUBUNIT
著者Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R.
登録日2003-01-31
公開日2003-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
4OWE
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PtCl6 binding to HEWL
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
登録日2014-01-31
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
1NXI
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Solution structure of Vibrio cholerae protein VC0424
分子名称: conserved hypothetical protein VC0424
著者Ramelot, T.A, Ni, S, Goldsmith-Fischman, S, Cort, J.R, Honig, B, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2003-02-10
公開日2003-07-01
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of Vibrio cholerae protein VC0424: a variation of the ferredoxin-like fold.
Protein Sci., 12, 2003
8A35
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NaK C-DI mutant with Rb+ and Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-07
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
8ORR
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Outer membrane protein assembly factor BamB from Klebsiella pneumoniae
分子名称: CADMIUM ION, Outer membrane protein assembly factor BamB
著者Song, H, Bolla, J.R.
登録日2023-04-17
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Outer membrane protein assembly factor BamB from Klebsiella pneumoniae
To Be Published
5MIK
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X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data)
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A.
登録日2016-11-28
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
5MK6
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Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)
分子名称: Botulinum neurotoxin type A, SODIUM ION
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
1LB4
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TRAF6 apo structure
分子名称: TNF receptor-associated factor 6
著者Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
登録日2002-04-02
公開日2002-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
5W8R
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Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5WBN
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Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H.
登録日2017-06-29
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
4OD3
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Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAP256-VRC26.07 heavy chain, CAP256-VRC26.07 light chain, ...
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-01-09
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.616 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
1LB5
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TRAF6-RANK Complex
分子名称: TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B
著者Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
登録日2002-04-02
公開日2002-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
8AYQ
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NaK C-DI mutant with Rb+ and Ca2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-09-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
8AYP
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NaK C-DI mutant with Rb+ and Ba2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-09-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
5V1V
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TbiB1 in Complex with the TbiA(alpha) Leader Peptide
分子名称: TbiA(alpha) Leader Peptide, TbiB1, ZINC ION
著者Chekan, J.R, Nair, S.K.
登録日2017-03-02
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
4OQJ
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Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1
分子名称: GLYCEROL, PHOSPHATE ION, PKS, ...
著者Nocek, B, Mack, J, Endras, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-02-09
公開日2014-03-19
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ORG
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Crystal structure of human Fab CAP256-VRC26.04, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: CAP256-VRC26.04 heavy chain, CAP256-VRC26.04 light chain
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-02-11
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.121 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
5V84
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CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)
分子名称: Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION
著者Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F.
登録日2017-03-21
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
8A4F
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Human Interleukin-4 mutant - C3T-IL4
分子名称: Interleukin-4
著者Vaz, D.C, Rodrigues, J.R, Mueller, T.D, Sebald, W, Redfield, C, Brito, R.M.M.
登録日2022-06-11
公開日2023-10-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Proteins, 92, 2024
5UPW
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CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
分子名称: Gag polyprotein
著者Perilla, J.R.
登録日2017-02-04
公開日2017-03-01
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.
J Phys Chem B, 121, 2017
4OH3
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Crystal structure of a nitrate transporter
分子名称: DODECYL-BETA-D-MALTOSIDE, NITRATE ION, Nitrate transporter 1.1
著者Sun, J, Bankston, J.R, Payandeh, J, Hinds, T.R, Zagotta, W.N, Zheng, N.
登録日2014-01-16
公開日2014-03-05
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of the plant dual-affinity nitrate transporter NRT1.1.
Nature, 507, 2014

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