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4OC3
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BU of 4oc3 by Molmil
X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CFIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C.
Deposit date:2014-01-08
Release date:2014-05-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
4OME
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BU of 4ome by Molmil
X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety
Descriptor: (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Ptacek, J, Novakova, Z, Byun, Y.
Deposit date:2014-01-27
Release date:2015-02-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety
To be Published
4OO3
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BU of 4oo3 by Molmil
Crystal structure of a putative oxidoreductase (PARMER_00841) from Parabacteroides merdae ATCC 43184 at 2.23 A resolution
Descriptor: hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-30
Release date:2014-03-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of a hypothetical protein (PARMER_00841) from Parabacteroides merdae ATCC 43184 at 2.23 A resolution
To be published
4OZ1
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BU of 4oz1 by Molmil
Crystal structure of human CAPERalpha UHM bound to SF3b155 ULM5
Descriptor: CHLORIDE ION, LYSINE, POTASSIUM ION, ...
Authors:Loerch, S, Kielkopf, C.L.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Cancer-relevant splicing factor CAPER alpha engages the essential splicing factor SF3b155 in a specific ternary complex.
J.Biol.Chem., 289, 2014
4HI4
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BU of 4hi4 by Molmil
Crystal structure of the 5-coordinate ferric heme-binding PAS domain of Aer2 from P. aeruginosa
Descriptor: Aerotaxis transducer Aer2, CHLORIDE ION, GLYCEROL, ...
Authors:Airola, M.V, Crane, B.R.
Deposit date:2012-10-11
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Architecture of the soluble receptor Aer2 indicates an in-line mechanism for PAS and HAMP domain signaling.
J.Mol.Biol., 425, 2013
8SU8
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BU of 8su8 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
Descriptor: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-05-11
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
4HPT
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BU of 4hpt by Molmil
Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
Deposit date:2012-10-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013
4HPU
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BU of 4hpu by Molmil
Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying partial phosphoryl transfer of AMP-PNP onto a substrate peptide
Descriptor: MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
Deposit date:2012-10-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013
4IAK
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BU of 4iak by Molmil
Low temperature X-ray structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, STRONTIUM ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAY
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BU of 4iay by Molmil
Room temperature X-ray Structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAF
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BU of 4iaf by Molmil
Room temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
6V6D
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BU of 6v6d by Molmil
Cryo-EM structure of human pannexin 1
Descriptor: Pannexin-1
Authors:Deng, Z, He, Z, Yuan, P.
Deposit date:2019-12-05
Release date:2020-04-01
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Cryo-EM structures of the ATP release channel pannexin 1.
Nat.Struct.Mol.Biol., 27, 2020
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
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
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
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:2024-05-01
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
4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
Descriptor: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
8T7V
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BU of 8t7v by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)
Descriptor: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-06-21
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8T09
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BU of 8t09 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
Descriptor: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-05-31
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
4GVC
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BU of 4gvc by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide
Descriptor: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ...
Authors:Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J.
Deposit date:2012-08-30
Release date:2013-03-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
4HE2
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BU of 4he2 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
Authors:Shi, R, Zhu, D.W, Lin, S.X.
Deposit date:2012-10-03
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013

224004

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