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7YAI
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BU of 7yai by Molmil
CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 3
Descriptor: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, Nanobody head piece of megabody, ...
Authors:Chen, Z, Watanabe, S, Inaba, K.
Deposit date:2022-06-28
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAJ
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BU of 7yaj by Molmil
CryoEM structure of SPCA1a in E1-Mn-AMPPCP state subclass 1
Descriptor: Calcium-transporting ATPase type 2C member 1, MANGANESE (II) ION, Nanobody head piece of megabody, ...
Authors:Chen, Z, Watanabe, S, Inaba, K.
Deposit date:2022-06-28
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAM
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BU of 7yam by Molmil
CryoEM structure of SPCA1a in E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION
Authors:Chen, Z, Watanabe, S, Inaba, K.
Deposit date:2022-06-28
Release date:2023-03-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
6TGW
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BU of 6tgw by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective inhibitor
Descriptor: Aldehyde dehydrogenase family 1 member A3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
Authors:Garavaglia, S, Rizzi, M.
Deposit date:2019-11-18
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A specific inhibitor of ALDH1A3 regulates retinoic acid biosynthesis in glioma stem cells.
Commun Biol, 4, 2021
6CUU
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BU of 6cuu by Molmil
Thermus thermophiles RNA polymerase in complex with promoter DNA and antibiotic Kanglemycin A
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*A)-3'), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Murakami, K.S.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Mode of Action of Kanglemycin A, an Ansamycin Natural Product that Is Active against Rifampicin-Resistant Mycobacterium tuberculosis.
Mol. Cell, 72, 2018
6KMW
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BU of 6kmw by Molmil
Structure of PSI from H. hongdechloris grown under white light condition
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
Deposit date:2019-08-01
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for the adaptation and function of chlorophyll f in photosystem I.
Nat Commun, 11, 2020
6GFH
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BU of 6gfh by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-04-30
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
5W8B
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BU of 5w8b by Molmil
Carbonic anhydrase II in complex with activating histamine pyridinium derivative
Descriptor: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Bhatt, A, Ilies, M, McKenna, R.
Deposit date:2017-06-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
2ZEV
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BU of 2zev by Molmil
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715
Descriptor: 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ...
Authors:Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
6K1R
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BU of 6k1r by Molmil
Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa in complex with NAD+ and ketopantoate
Descriptor: GLYCEROL, KETOPANTOATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Khanppnavar, B, Choudhury, A, Datta, S.
Deposit date:2019-05-12
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystallographic and biophysical analyses of Pseudomonas aeruginosa ketopantoate reductase: Implications of ligand induced conformational changes in cofactor recognition.
Biochimie, 2021
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Bourguet, W, Teyssier, C.
Deposit date:2009-11-11
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
3AZ1
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BU of 3az1 by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: Vitamin D3 receptor, {4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
Authors:Itoh, S, Iijima, S.
Deposit date:2011-05-20
Release date:2011-11-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3AZ2
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BU of 3az2 by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: 5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid, Vitamin D3 receptor
Authors:Itoh, S, Iijima, S.
Deposit date:2011-05-20
Release date:2011-11-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3AZ3
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BU of 3az3 by Molmil
Crystal Structure Analysis of Vitamin D receptor
Descriptor: (4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid, Vitamin D3 receptor
Authors:Itoh, S, Iijima, S.
Deposit date:2011-05-20
Release date:2011-11-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3AWV
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BU of 3awv by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 80 hr: occupancy of CuA is low
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AX8
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BU of 3ax8 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 15alpha-methoxy-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2011-03-30
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New C15-substituted active vitamin D3
Org.Lett., 13, 2011
1M1J
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BU of 1m1j by Molmil
Crystal structure of native chicken fibrinogen with two different bound ligands
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, Z, Kollman, J.M, Pandi, L, Doolittle, R.F.
Deposit date:2002-06-19
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Native Chicken Fibrinogen at 2.7 A Resolution
Biochemistry, 40, 2001
3TKZ
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BU of 3tkz by Molmil
Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide
Descriptor: PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D.
Deposit date:2011-08-29
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
3TL0
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BU of 3tl0 by Molmil
Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide
Descriptor: RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D.
Deposit date:2011-08-29
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
2YB6
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BU of 2yb6 by Molmil
Native human Rad6
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, UBIQUITIN-CONJUGATING ENZYME E2 B
Authors:Hibbert, R.G, Sixma, T.K.
Deposit date:2011-03-02
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:E3 Ligase Rad18 Promotes Monoubiquitination Rather Than Ubiquitin Chain Formation by E2 Enzyme Rad6.
Proc.Natl.Acad.Sci.USA, 108, 2011
111M
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BU of 111m by Molmil
SPERM WHALE MYOGLOBIN D122N N-BUTYL ISOCYANIDE AT PH 9.0
Descriptor: MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Smith, R.D, Olson, J.S, Phillips Jr, G.N.
Deposit date:1997-12-24
Release date:1998-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
1QJS
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BU of 1qjs by Molmil
mammalian blood serum haemopexin glycosylated-native protein and in complex with its ligand haem
Descriptor: CHLORIDE ION, HEMOPEXIN, PHOSPHATE ION, ...
Authors:Paoli, M, Baker, H.M, Morgan, W.T, Smith, A, Baker, E.N.
Deposit date:1999-07-01
Release date:2000-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Hemopexin Reveals a Novel High-Affinity Heme Site Formed between Two Beta-Propeller Domains.
Nat.Struct.Biol., 6, 1999
3GQQ
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BU of 3gqq by Molmil
Crystal structure of the human retinal protein 4 (unc-119 homolog A). Northeast Structural Genomics Consortium target HR3066a
Descriptor: Protein unc-119 homolog A, UNKNOWN LIGAND
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Crystal structure of the human retinal protein 4 (unc-119 homolog A).
To be Published
3TZS
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BU of 3tzs by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Descriptor: 1,2-ETHANEDIOL, 1-phenylurea, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-27
Release date:2011-10-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7
7VUH
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BU of 7vuh by Molmil
Cryo-EM structure of a class A orphan GPCR
Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J.
Deposit date:2021-11-02
Release date:2021-12-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022

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