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5ZZN
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BU of 5zzn by Molmil
Crystal structure of photosystem II from an SQDG-deficient mutant of Thermosynechococcus elongatus
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Nakajima, Y, Umena, Y, Nagao, R, Endo, K, Kobayashi, K, Akita, F, Suga, M, Wada, H, Noguchi, T, Shen, J.R.
Deposit date:2018-06-03
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thylakoid membrane lipid sulfoquinovosyl-diacylglycerol (SQDG) is required for full functioning of photosystem II inThermosynechococcus elongatus.
J. Biol. Chem., 293, 2018
7ERQ
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BU of 7erq by Molmil
The regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (ligand-free form)
Descriptor: LysR family transcriptional regulator
Authors:Hong, S, Ha, N.-C.
Deposit date:2021-05-06
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of YeiE from Cronobacter sakazakii and the role of sulfite tolerance in gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
1MI4
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BU of 1mi4 by Molmil
Glyphosate insensitive G96A mutant EPSP synthase liganded with shikimate-3-phosphate
Descriptor: 5-enolpyruvylshikimate-3-phosphate synthase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Eschenburg, S, Healy, M.L, Priestman, M.A, Lushington, G.H, Schonbrunn, E.
Deposit date:2002-08-21
Release date:2002-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:How the mutation glycine96 to alanine confers glyphosate insensitivity to 5-enolpyruvyl shikimate-3-phosphate synthase from Escherichia coli.
PLANTA, 216, 2002
6KZP
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BU of 6kzp by Molmil
calcium channel-ligand
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N.
Deposit date:2019-09-25
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
2KII
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BU of 2kii by Molmil
NMR structure of the SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein
Authors:Erbil, W.K.
Deposit date:2009-05-05
Release date:2009-11-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation.
Proc.Natl.Acad.Sci.USA, 106, 2009
1ILH
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BU of 1ilh by Molmil
Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
Descriptor: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Authors:Watkins, R.E, Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
4N7O
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BU of 4n7o by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin with phosphate at 2.5 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
1FB5
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BU of 1fb5 by Molmil
LOW RESOLUTION STRUCTURE OF OVINE ORNITHINE TRANSCARBMOYLASE IN THE UNLIGANDED STATE
Descriptor: NORVALINE, ORNITHINE TRANSCARBAMOYLASE
Authors:Zanotti, G, Battistutta, R, Panzalorto, M, Francescato, P, Bruno, G, De Gregorio, A.
Deposit date:2000-07-14
Release date:2003-08-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Functional and structural characterization of ovine ornithine transcarbamoylase.
Org.Biomol.Chem., 1, 2003
4N7N
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BU of 4n7n by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
Descriptor: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-26
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B66
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BU of 3b66 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
Descriptor: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2KIL
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BU of 2kil by Molmil
NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state
Descriptor: CARBON MONOXIDE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Erbil, W.K.
Deposit date:2009-05-06
Release date:2009-11-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation.
Proc.Natl.Acad.Sci.USA, 106, 2009
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
Descriptor: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
Authors:Sanchez-Barrena, M.J, Blanco-Gabella, P.
Deposit date:2019-01-17
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
6AAC
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BU of 6aac by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with mAzZLys
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-18
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
6ABL
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BU of 6abl by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oBrZLys
Descriptor: (2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-22
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
6EI8
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BU of 6ei8 by Molmil
Crystal structure of human tRNA-dihydrouridine (20) synthase dsRBD F359A mutant
Descriptor: SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
Authors:Bou-Nader, C, Pecqueur, L, Hamdane, D.
Deposit date:2017-09-18
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational Stability Adaptation of a Double-Stranded RNA-Binding Domain to Transfer RNA Ligand.
Biochemistry, 58, 2019
2F7P
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BU of 2f7p by Molmil
Golgi alpha-mannosidase II complex with benzyl-mannostatin A
Descriptor: (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-12-01
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Descriptor: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
6ABM
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BU of 6abm by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pTmdZLys
Descriptor: (2S)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-22
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.368 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
4JSZ
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BU of 4jsz by Molmil
Benzenesulfonamide bound to hCAII H94C
Descriptor: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide
Authors:Martin, D.P, Hann, Z.S, Cohen, S.M.
Deposit date:2013-03-22
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
1TVR
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BU of 1tvr by Molmil
HIV-1 RT/9-CL TIBO
Descriptor: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE
Authors:Das, K, Ding, J, Hsiou, Y, Arnold, E.
Deposit date:1996-04-16
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
4JS6
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BU of 4js6 by Molmil
Crystal structure of inhibitor-free hCAII H94D
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Martin, D.P, Hann, Z.S, Cohen, S.M.
Deposit date:2013-03-22
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
3TLS
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BU of 3tls by Molmil
The GLIC pentameric Ligand-Gated Ion Channel E19'P mutant in a locally-closed conformation (LC2 subtype)
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-08-30
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3GM1
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BU of 3gm1 by Molmil
Crystal Structure of the Focal Adhesion Targeting (FAT) Domain of Pyk2 in Complex with Paxillin LD4 Motif-Derived Peptides
Descriptor: Paxillin, Protein tyrosine kinase 2 beta
Authors:Lulo, J.E, Yuzawa, S, Schlessinger, J.
Deposit date:2009-03-12
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of free and ligand-bound focal adhesion targeting domain of Pyk2
Biochem.Biophys.Res.Commun., 383, 2009
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
Descriptor: ORPHAN NUCLEAR RECEPTOR PXR
Authors:Watkins, R.E, Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001

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