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2IA6
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BU of 2ia6 by Molmil
Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*A)-3', ...
Authors:Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M.
Deposit date:2006-09-07
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
8A3B
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BU of 8a3b by Molmil
Cryo-EM structure of mouse Pannexin 1 purified in Salipro nanoparticles
Descriptor: Pannexin-1
Authors:Drulyte, I.
Deposit date:2022-06-07
Release date:2023-02-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Direct cell extraction of membrane proteins for structure-function analysis.
Sci Rep, 13, 2023
1KI1
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BU of 1ki1 by Molmil
Guanine Nucleotide Exchange Region of Intersectin in Complex with Cdc42
Descriptor: G25K GTP-binding protein, placental isoform, SULFATE ION, ...
Authors:Snyder, J.T, Pruitt, W.M, Der, C.J, Sondek, J.
Deposit date:2001-12-02
Release date:2002-05-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the selective activation of Rho GTPases by Dbl exchange factors.
Nat.Struct.Biol., 9, 2002
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
1M1X
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BU of 1m1x by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
8T1B
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BU of 8t1b by Molmil
Cryo-EM structure of full-length human TRPV4 in apo state
Descriptor: (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera, ...
Authors:Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T1D
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BU of 8t1d by Molmil
Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD
Descriptor: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T1F
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BU of 8t1f by Molmil
Cryo-EM structure of full-length human TRPV4 in complex with antagonist HC-067047
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T1E
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BU of 8t1e by Molmil
Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD
Descriptor: (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ...
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T2U
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BU of 8t2u by Molmil
Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids complexed with Eptifibatide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2023-06-06
Release date:2023-07-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids.
Nat Commun, 14, 2023
8T2V
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BU of 8t2v by Molmil
Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2023-06-06
Release date:2023-07-26
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids.
Nat Commun, 14, 2023
1KZ7
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BU of 1kz7 by Molmil
Crystal Structure of the DH/PH Fragment of Murine Dbs in Complex with the Placental Isoform of Human Cdc42
Descriptor: CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS
Authors:Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J.
Deposit date:2002-02-06
Release date:2002-03-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange.
EMBO J., 21, 2002
3JPW
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BU of 3jpw by Molmil
Crystal structure of amino terminal domain of the NMDA receptor subunit NR2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2009-09-04
Release date:2009-12-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit.
Embo J., 28, 2009
3JPY
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BU of 3jpy by Molmil
Crystal structure of the zinc-bound amino terminal domain of the NMDA receptor subunit NR2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2009-09-04
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit.
Embo J., 28, 2009
3JV3
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BU of 3jv3 by Molmil
Structure of SH3E-DH unit of murine intersectin-1L
Descriptor: Intersectin-1
Authors:Ahmad, K.F.
Deposit date:2009-09-15
Release date:2010-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The minimal autoinhibited unit of the guanine nucleotide exchange factor intersectin.
Plos One, 5, 2010
1L5G
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BU of 1l5g by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-03-06
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
3K5T
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BU of 3k5t by Molmil
Crystal structure of human diamine oxidase in space group C2221
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-10-08
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A new crystal form of human diamine oxidase.
Acta Crystallogr.,Sect.F, 66, 2010
1KZG
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BU of 1kzg by Molmil
DbsCdc42(Y889F)
Descriptor: CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS
Authors:Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J.
Deposit date:2002-02-06
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange.
EMBO J., 21, 2002
3H0C
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BU of 3h0c by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
Authors:Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A.
Deposit date:2009-04-09
Release date:2009-06-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
To be Published
2K1Z
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BU of 2k1z by Molmil
Solution structure of Par-3 PDZ3
Descriptor: Partitioning-defective 3 homolog
Authors:Feng, W, Wu, H, Chan, L, Zhang, M.
Deposit date:2008-03-18
Release date:2008-06-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of Par-3 PDZ3
To be Published
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
2K3H
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BU of 2k3h by Molmil
Structural determinants for Ca2+ and PIP2 binding by the C2A domain of rabphilin-3A
Descriptor: CALCIUM ION, Rabphilin-3A
Authors:Coudevylle, N, Montaville, P, Leonov, A, Zweckstetter, M, Becker, S.
Deposit date:2008-05-08
Release date:2008-10-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Determinants for Ca2+ and Phosphatidylinositol 4,5-Bisphosphate Binding by the C2A Domain of Rabphilin-3A.
J.Biol.Chem., 283, 2008
3HIG
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BU of 3hig by Molmil
Crystal structure of human diamine oxidase in complex with the inhibitor berenil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, BERENIL, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-05-19
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009
2K2R
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BU of 2k2r by Molmil
The NMR structure of alpha-parvin CH2/paxillin LD1 complex
Descriptor: Alpha-parvin, Paxillin
Authors:Wang, X, Fukuda, K, Byeon, I, Velyvis, A, Wu, C, Gronenborn, A, Qin, J.
Deposit date:2008-04-10
Release date:2008-05-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Structure of {alpha}-Parvin CH2-Paxillin LD1 Complex Reveals a Novel Modular Recognition for Focal Adhesion Assembly.
J.Biol.Chem., 283, 2008
3HII
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BU of 3hii by Molmil
Crystal structure of human diamine oxidase in complex with the inhibitor pentamidine
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-05-20
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009

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