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3W22
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BU of 3w22 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125
分子名称: 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2012-11-26
公開日2013-11-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125
To be Published
3RD9
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BU of 3rd9 by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
2C74
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BU of 2c74 by Molmil
14-3-3 Protein Eta (Human) Complexed to Peptide
分子名称: 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS
著者Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A.
登録日2005-11-17
公開日2005-12-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for protein-protein interactions in the 14-3-3 protein family.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
5WI0
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BU of 5wi0 by Molmil
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
分子名称: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-07-18
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
2XWI
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BU of 2xwi by Molmil
SiaP R147K mutant in complex with Neu5Ac
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-04
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
2C70
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BU of 2c70 by Molmil
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins
分子名称: AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, P-NITRO-BENZYLAMINE
著者Li, M, Binda, C, Mattevi, A, Edmondson, D.E.
登録日2005-11-17
公開日2006-04-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins
Biochemistry, 45, 2006
6SS5
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BU of 6ss5 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HXR
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BU of 5hxr by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-01-31
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
4PM4
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BU of 4pm4 by Molmil
Structure of a putative periplasmic iron siderophore binding protein (Rv0265c) from Mycobacterium tuberculosis H37Rv
分子名称: CHLORIDE ION, Iron complex transporter substrate-binding protein, SULFATE ION
著者Arbing, M.A, Chan, S, Tran, N, Kuo, E, Lu, J, Harris, L.R, Zhou, T.T, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2014-05-20
公開日2014-06-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a putative periplasmic iron siderophore binding protein (Rv0265c) from Mycobacterium tuberculosis H37Rv
To Be Published
3W0O
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BU of 3w0o by Molmil
Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia, ternary complex with ADP and hygromycin B
分子名称: ADENOSINE-5'-DIPHOSPHATE, HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase
著者Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S.
登録日2012-11-02
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant.
J.Struct.Biol., 183, 2013
4PIQ
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BU of 4piq by Molmil
Crystal structure of human adenovirus 8 protease with a nitrile inhibitor
分子名称: N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-09
公開日2014-09-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
1JR1
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BU of 1jr1 by Molmil
Crystal structure of Inosine Monophosphate Dehydrogenase in complex with Mycophenolic Acid
分子名称: INOSINIC ACID, Inosine-5'-Monophosphate Dehydrogenase 2, MYCOPHENOLIC ACID, ...
著者Sintchak, M.D, Fleming, M.A, Futer, O, Raybuck, S.A, Chambers, S.P, Caron, P.R, Murcko, M.A, Wilson, K.P.
登録日2001-08-09
公開日2001-09-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid.
Cell(Cambridge,Mass.), 85, 1996
2LUU
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BU of 2luu by Molmil
NMR solution structure of midkine-b, mdkb
分子名称: Midkine-related growth factor Mdk2
著者Yang, D, Lim, J, Meng, D.
登録日2012-06-21
公開日2013-05-01
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis.
Biochem.J., 451, 2013
8R7Z
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BU of 8r7z by Molmil
transcription factor BARHL2 homodimer with spacing four bp
分子名称: BarH-like 2 homeobox protein, DNA (5'-D(P*AP*CP*CP*GP*TP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*AP*CP*GP*GP*T)-3'), ...
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2023-11-27
公開日2024-12-04
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献DNA-guided transcription factor interactions extend human gene regulatory code.
Nature, 2025
1NIL
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BU of 1nil by Molmil
A COMPARISON OF NMR SOLUTION STRUCTURES OF THE RECEPTOR BINDING DOMAINS OF PSEUDOMONAS AERUGINOSA PILI STRAINS PAO, KB7, AND PAK: IMPLICATIONS FOR RECEPTOR BINDING AND SYNTHETIC VACCINE DESIGN
分子名称: PAK PILIN, TRANS
著者Campbell, A.P, Mcinnes, C, Hodges, R.S, Sykes, B.D.
登録日1995-10-05
公開日1996-01-29
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Comparison of NMR solution structures of the receptor binding domains of Pseudomonas aeruginosa pili strains PAO, KB7, and PAK: implications for receptor binding and synthetic vaccine design.
Biochemistry, 34, 1995
2CCC
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BU of 2ccc by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
分子名称: CHLORIDE ION, LUMIFLAVIN, MAGNESIUM ION, ...
著者Grininger, M, Zeth, K, Oesterhelt, D.
登録日2006-01-13
公開日2006-01-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
4FC6
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BU of 4fc6 by Molmil
Studies on DCR shed new light on peroxisomal beta-oxidation: Crystal structure of the ternary complex of pDCR
分子名称: HEXANOYL-COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Peroxisomal 2,4-dienoyl-CoA reductase
著者Hua, T, Wu, D, Wang, J, Shaw, N, Liu, Z.-J.
登録日2012-05-24
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Studies of human 2,4-dienoyl CoA reductase shed new light on peroxisomal beta-oxidation of unsaturated fatty acids
J.Biol.Chem., 287, 2012
4KVU
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BU of 4kvu by Molmil
Crystal structure of a 6-helix coiled coil CC-Hex-L17C-W224BF
分子名称: 6-helix coiled coil CC-Hex-L17C-W224BF, GLYCEROL
著者Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N.
登録日2013-05-23
公開日2013-08-21
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly.
J.Am.Chem.Soc., 135, 2013
2CGL
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BU of 2cgl by Molmil
Crystal Structure of L-rhamnulose kinase from Escherichia coli in complex with L-fructose, ADP and a modeled ATP gamma phosphate.
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHITE ION, RHAMNULOKINASE, ...
著者Grueninger, D, Schulz, G.E.
登録日2006-03-09
公開日2006-05-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure and Reaction Mechanism of L-Rhamnulose Kinase from Escherichia Coli.
J.Mol.Biol., 359, 2006
3VRV
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BU of 3vrv by Molmil
VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
分子名称: (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
登録日2012-04-14
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
1JJ7
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BU of 1jj7 by Molmil
Crystal Structure of the C-terminal ATPase domain of human TAP1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PEPTIDE TRANSPORTER TAP1
著者Gaudet, R, Wiley, D.C.
登録日2001-07-03
公開日2001-09-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the ABC ATPase domain of human TAP1, the transporter associated with antigen processing.
EMBO J., 20, 2001
2VGL
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AP2 CLATHRIN ADAPTOR CORE
分子名称: ADAPTOR PROTEIN COMPLEX AP-2, ALPHA 2 SUBUNIT, AP-2 COMPLEX SUBUNIT BETA-1, ...
著者Owen, D.J, Collins, B.M, McCoy, A.J, Evans, P.R.
登録日2007-11-14
公開日2007-12-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Architecture and Functional Model of the Endocytic Ap2 Complex
Cell(Cambridge,Mass.), 109, 2002
2M4J
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BU of 2m4j by Molmil
40-residue beta-amyloid fibril derived from Alzheimer's disease brain
分子名称: Amyloid beta A4 protein
著者Lu, J, Qiang, W, Meredith, S.C, Yau, W, Schweiters, C.D, Tycko, R.
登録日2013-02-05
公開日2013-09-25
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Molecular Structure of beta-Amyloid Fibrils in Alzheimer's Disease Brain Tissue.
Cell(Cambridge,Mass.), 154, 2013
2Y2E
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BU of 2y2e by Molmil
crystal structure of AmpD grown at pH 5.5
分子名称: 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION
著者Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A.
登録日2010-12-14
公開日2011-07-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
3RL6
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Crystal structure of the archaeal asparagine synthetase A complexed with L-Asparagine and Adenosine monophosphate
分子名称: ADENOSINE MONOPHOSPHATE, ASPARAGINE, Archaeal asparagine synthetase A, ...
著者Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
登録日2011-04-19
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011

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