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5M9C
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BU of 5m9c by Molmil
Human angiogenin ALS variant K40R
分子名称: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9J
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BU of 5m9j by Molmil
Human angiogenin PD variant K60E
分子名称: Angiogenin, L(+)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MNH
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BU of 5mnh by Molmil
Cationic trypsin in complex with benzamidine (deuterated sample at 295 K)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNO
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BU of 5mno by Molmil
Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K)
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNY
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BU of 5mny by Molmil
Neutron structure of cationic trypsin in complex with aniline
分子名称: CALCIUM ION, Cationic trypsin, phenylazanium
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-10-16
実験手法NEUTRON DIFFRACTION (1.43 Å)
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MO1
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BU of 5mo1 by Molmil
Neutron structure of cationic trypsin in complex with benzylamine
分子名称: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-02-28
最終更新日2024-01-17
実験手法NEUTRON DIFFRACTION (1.491 Å)
主引用文献Neutron structure of cationic trypsin in complex with benzylamine
to be published
5MOQ
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BU of 5moq by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
分子名称: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
著者Zhu, C.J.
登録日2023-05-17
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.89288354 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
7EST
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BU of 7est by Molmil
Interaction of the peptide CF3-LEU-ALA-NH-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 Angstroms
分子名称: CALCIUM ION, DIMETHYLFORMAMIDE, ELASTASE, ...
著者Li De Lasierra, I, Prange, T.
登録日1990-06-15
公開日1991-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
5MGT
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BU of 5mgt by Molmil
Complex of human NKR-P1 and LLT1 in deglycosylated forms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, CHLORIDE ION, ...
著者Blaha, J, Skalova, T, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
登録日2016-11-22
公開日2018-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
5MBW
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BU of 5mbw by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
分子名称: BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-09
公開日2017-09-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5MCO
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BU of 5mco by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
分子名称: BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-10
公開日2017-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
8IVL
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BU of 8ivl by Molmil
FABP7 complexed with Cholesterol
分子名称: CHOLESTEROL, Fatty acid-binding protein, brain
著者Wei, P.C, Zhao, K, Yin, L.
登録日2023-03-28
公開日2024-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes.
J.Cell Biol., 223, 2024
8IVF
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BU of 8ivf by Molmil
FABP7 complexed with 25-HC
分子名称: 25-HYDROXYCHOLESTEROL, Fatty acid-binding protein, brain
著者Wei, P.C, Zhao, K, Yin, L.
登録日2023-03-27
公開日2024-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes.
J.Cell Biol., 223, 2024
5MGR
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BU of 5mgr by Molmil
Human receptor NKR-P1 in glycosylated form, extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
登録日2016-11-22
公開日2018-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
5MW1
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BU of 5mw1 by Molmil
cryoEM structure of crenactin double helical filament at 3.8A resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin/actin family protein
著者Izore, T, Lowe, J.
登録日2017-01-17
公開日2017-02-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Crenactin forms actin-like double helical filaments regulated by arcadin-2.
Elife, 5, 2016
5MNB
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BU of 5mnb by Molmil
Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K)
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.939 Å)
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5M9Q
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BU of 5m9q by Molmil
Human angiogenin PD variant R95Q
分子名称: Angiogenin, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MIZ
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BU of 5miz by Molmil
MD ensemble of bovine insulin
分子名称: Insulin
著者Efimov, S.V, Zgadzay, Y.O, Klochkov, V.V.
登録日2016-11-29
公開日2017-01-25
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献MD ensemble of bovine insulin
To Be Published
5MR9
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BU of 5mr9 by Molmil
Ligand-receptor complex.
分子名称: Neurturin
著者Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G.
登録日2016-12-21
公開日2018-01-17
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and biophysical characterisation of the human complex - a role for heparan sulfate
To Be Published
5MKS
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BU of 5mks by Molmil
HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation
分子名称: 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, Heat shock 70 kDa protein 1A
著者Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M.
登録日2016-12-05
公開日2017-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Angew. Chem. Int. Ed. Engl., 56, 2017
8J4K
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BU of 8j4k by Molmil
X-ray crystal structure of F46C myoglobin with a covalently linked phenol group
分子名称: 1-(4-hydroxyphenyl)pyrrole-2,5-dione, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Yuan, H, Lin, Y.W.
登録日2023-04-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献X-ray crystal structure of F46C myoglobin with a covalently linked phenol group
To Be Published
5MOP
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BU of 5mop by Molmil
Joint X-ray/neutron structure of cationic trypsin in its apo form
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-01-17
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5M9T
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BU of 5m9t by Molmil
Human angiogenin ALS variant H114R
分子名称: Angiogenin, BORATE ION, GLYCEROL
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MB9
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BU of 5mb9 by Molmil
Crystal structure of the eukaryotic ribosome associated complex (RAC), a unique Hsp70/Hsp40 pair
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Gumiero, A, Weyer, F.A, Valentin Gese, G, Lapouge, K, Sinning, I.
登録日2016-11-07
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex.
Nat. Struct. Mol. Biol., 24, 2017

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件を2024-10-16に公開中

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