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4CZA
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Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii with bound thallium ion.
分子名称: ACETATE ION, NA+/H+ ANTIPORTER, PUTATIVE, ...
著者Woehlert, D, Kuhlbrandt, W, Yildiz, O.
登録日2014-04-16
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and substrate ion binding in the sodium/proton antiporter PaNhaP.
Elife, 3, 2014
4D2C
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Structure of a di peptide bound POT family peptide transporter
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE, ...
著者Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S.
登録日2014-05-09
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters.
Embo Rep., 15, 2014
4D37
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Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl) pyrimidin-4-yl]ethanamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4D4C
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BU of 4d4c by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManDMJ
分子名称: 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, ALPHA-1,6-MANNANASE, ...
著者Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J.
登録日2014-10-27
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
5QII
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
4D3B
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BU of 4d3b by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4CZW
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Structure of the Neurospora crassa Pan2 catalytic unit (protease and nuclease domain)
分子名称: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ZINC ION
著者Christie, M, Izaurralde, E, Weichenrieder, O.
登録日2014-04-22
公開日2014-06-04
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Nat.Struct.Mol.Biol., 21, 2014
5QCM
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BU of 5qcm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-08-10
公開日2017-11-08
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
4CVU
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Structure of Fungal beta-mannosidase from Glycoside Hydrolase Family 2 of Trichoderma harzianum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-MANNOSIDASE, CADMIUM ION, ...
著者Muniz, J.R.C, Aparicio, R, Santos, J.C, Nascimento, A.S, Golubev, A.M, Polikarpov, I.
登録日2014-03-31
公開日2014-07-09
最終更新日2023-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the structure and function of fungal beta-mannosidases from glycoside hydrolase family 2 based on multiple crystal structures of the Trichoderma harzianum enzyme.
FEBS J., 281, 2014
4CN1
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BU of 4cn1 by Molmil
GlgE isoform 1 from Streptomyces coelicolor D394A mutant with maltose- 1-phosphate bound
分子名称: ALPHA-1,4-GLUCAN: MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-1-O-phosphono-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
登録日2014-01-21
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
4CRG
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BU of 4crg by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRZ
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BU of 4crz by Molmil
Direct visualisation of strain-induced protein prost-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
4D3O
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BU of 4d3o by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine
分子名称: 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4CPC
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Crystal structure of human synaptonemal complex protein SYCP3
分子名称: SYNAPTONEMAL COMPLEX PROTEIN 3
著者Syrjanen, J.L, Pellegrini, L, Davies, O.R.
登録日2014-02-05
公開日2014-07-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A molecular model for the role of SYCP3 in meiotic chromosome organisation.
Elife, 3, 2014
4CI7
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BU of 4ci7 by Molmil
The crystal structure of the cysteine protease and lectin-like domains of Cwp84, a surface layer associated protein of Clostridium difficile
分子名称: CALCIUM ION, CELL SURFACE PROTEIN (PUTATIVE CELL SURFACE-ASSOCIATED CYSTEINE PROTEASE), GLYCEROL, ...
著者Bradshaw, W.J, Kirby, J.M, Thiyagarajan, N, Chambers, C.J, Davies, A.H, Roberts, A.K, Shone, C.C, Acharya, K.R.
登録日2013-12-06
公開日2014-05-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Structure of the Cysteine Protease and Lectin-Like Domains of Cwp84, a Surface Layer-Associated Protein from Clostridium Difficile
Acta Crystallogr.,Sect.D, 70, 2014
4CN4
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BU of 4cn4 by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant with 2-deoxy- 2-fluoro-beta-maltosyl modification
分子名称: ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-beta-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
登録日2014-01-21
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
4CQO
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Structure of the human CNOT1 superfamily homology domain in complex with a Nanos1 peptide
分子名称: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, NANOS HOMOLOG 1
著者Raisch, T, Jonas, S, Weichenrieder, O, Bhandari, D, Izaurralde, E.
登録日2014-02-21
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Nanos-Mediated Recruitment of the Ccr4-not Complex and Translational Repression
Genes Dev., 28, 2014
4CRY
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BU of 4cry by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Direct Visualisation of Strain-Induced Protein Post-Translational Modification
To be Published
4CGQ
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BU of 4cgq by Molmil
Full length Tah1 bound to HSP90 peptide SRMEEVD
分子名称: CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA, TPR REPEAT-CONTAINING PROTEIN ASSOCIATED WITH HSP90
著者Roe, S.M, Pal, M.
登録日2013-11-26
公開日2014-12-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tah1 Helix-Swap Dimerization Prevents Mixed Hsp90 Co-Chaperone Complexes
Acta Crystallogr.,Sect.F, 71, 2015
4CS0
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BU of 4cs0 by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
4CN6
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GlgE isoform 1 from Streptomyces coelicolor E423A mutant with maltose bound
分子名称: ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
登録日2014-01-21
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
4D36
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Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine
分子名称: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4D4D
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BU of 4d4d by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManIFG
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ALPHA-1,6-MANNANASE, ...
著者Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J.
登録日2014-10-27
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4D72
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Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSIDE HYDROLASE, ...
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-19
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
4D4X
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Nitrosyl complex of the D121I variant of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: CYTOCHROME C', HEME C, NITRIC OXIDE
著者Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W.
登録日2014-10-31
公開日2015-09-09
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015

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