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1A5N
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BU of 1a5n by Molmil
K217A VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL
Descriptor: FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ...
Authors:Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Descriptor: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-01-04
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
Descriptor: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
Authors:Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5H7D
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BU of 5h7d by Molmil
Crystal structure of the YgjG-protein A-Zpa963-calmodulin complex
Descriptor: CALCIUM ION, Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,Calmodulin
Authors:Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
Deposit date:2016-11-17
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
Descriptor: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
Authors:Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-08-17
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human UTP15
To Be Published
5H8Y
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BU of 5h8y by Molmil
Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-2 crystal
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ...
Authors:Kurisu, G, Nakayama, M, Hase, T.
Deposit date:2015-12-25
Release date:2016-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mutational studies of an electron transfer complex of maize sulfite reductase and ferredoxin.
J.Biochem., 160, 2016
5H9M
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BU of 5h9m by Molmil
Crystal structure of siah2 SBD domain
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase SIAH2, PENTAETHYLENE GLYCOL, ...
Authors:Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-12-28
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Crystal structure of siah2 SBD domain
to be published
7N9D
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BU of 7n9d by Molmil
I74A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-06-17
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
1A5K
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BU of 1a5k by Molmil
K217E VARIANT OF KLEBSIELLA AEROGENES UREASE
Descriptor: UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT)
Authors:Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
1A5L
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BU of 1a5l by Molmil
K217C VARIANT OF KLEBSIELLA AEROGENES UREASE
Descriptor: UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT)
Authors:Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
7NMX
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BU of 7nmx by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CALCIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7RTQ
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BU of 7rtq by Molmil
Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Descriptor: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51
Authors:Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z.
Deposit date:2021-08-13
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition.
J.Med.Chem., 64, 2021
5HGM
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BU of 5hgm by Molmil
Hexameric HIV-1 CA in complex with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Capsid protein P24
Authors:Jacques, D.A, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
7NN2
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BU of 7nn2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41
Descriptor: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
1AH2
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BU of 1ah2 by Molmil
SERINE PROTEASE PB92 FROM BACILLUS ALCALOPHILUS, NMR, 18 STRUCTURES
Descriptor: SERINE PROTEASE PB92
Authors:Boelens, R, Schipper, D, Martin, J.R, Karimi-Nejad, Y, Mulder, F, Zwan, J.V.D, Mariani, M.
Deposit date:1997-04-11
Release date:1998-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of serine protease PB92 from Bacillus alcalophilus presents a rigid fold with a flexible substrate-binding site.
Structure, 5, 1997
5HGG
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BU of 5hgg by Molmil
Crystal structure of uPA in complex with a camelid-derived antibody fragment
Descriptor: (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ...
Authors:Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K.
Deposit date:2016-01-08
Release date:2016-06-01
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
5HK5
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BU of 5hk5 by Molmil
Structure of the Grem2-GDF5 Inhibitory Complex
Descriptor: Gremlin-2, Growth/differentiation factor 5
Authors:Nolan, K, Thompson, T.B, Read, R.J.
Deposit date:2016-01-13
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Gremlin-2 in Complex with GDF5 Gives Insight into DAN-Family-Mediated BMP Antagonism.
Cell Rep, 16, 2016
5HIF
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BU of 5hif by Molmil
Crystal structure of a reconstructed lactonase ancestor, Anc1-MPH, of the bacterial methyl parathion hydrolase, MPH.
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Baier, F, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-11
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:to be published
To Be Published
5HKK
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BU of 5hkk by Molmil
Caldalaklibacillus thermarum F1-ATPase (wild type)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2016-01-14
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HJ8
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BU of 5hj8 by Molmil
Bacterial sodium channel neck 3G mutant
Descriptor: CALCIUM ION, Ion transport protein
Authors:Rohaim, A, Minor, D.L.
Deposit date:2016-01-13
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5H6N
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BU of 5h6n by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form
Descriptor: Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
1B2D
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BU of 1b2d by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.35 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
5HLG
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BU of 5hlg by Molmil
Structure of reduced AbfR bound to DNA
Descriptor: DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator
Authors:Liu, G, Liu, X, Gan, J, Yang, C.G.
Deposit date:2016-01-15
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
5H8K
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BU of 5h8k by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016

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