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8IYG
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BU of 8iyg by Molmil
Human neuronal gap junction channel connexin 36
Descriptor: CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein
Authors:Mao, W.X, Chen, S.S.
Deposit date:2023-04-04
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM.
Arch.Biochem.Biophys., 754, 2024
5MRS
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BU of 5mrs by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
Deposit date:2016-12-26
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
To Be Published
5MVA
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BU of 5mva by Molmil
Structure of the thin filament at high calcium concentration
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle
Authors:Paul, D.M, Squire, J.M, Morris, E.P.
Deposit date:2017-01-16
Release date:2017-11-29
Method:ELECTRON MICROSCOPY (27.700001 Å)
Cite:Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism.
J. Struct. Biol., 197, 2017
5M9G
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BU of 5m9g by Molmil
Human angiogenin PD variant K54R
Descriptor: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-01
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M62
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BU of 5m62 by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
Authors:Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
Deposit date:2016-10-24
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
8JAH
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BU of 8jah by Molmil
Crystal structure of human CLEC12A C-type lectin domain
Descriptor: C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION
Authors:Lei, Q, Tang, H, Dong, X.
Deposit date:2023-05-06
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024
5MHD
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BU of 5mhd by Molmil
Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions.
Descriptor: Insulin
Authors:Bocian, W, Kozerski, L, Bednarek, E, Sitkowski, J.
Deposit date:2016-11-24
Release date:2017-08-09
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Structure and pharmaceutical formulation development of a new long-acting recombinant human insulin analog studied by NMR and MS.
J Pharm Biomed Anal, 135, 2017
5MJD
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BU of 5mjd by Molmil
metNgb under oxygen at 80 bar
Descriptor: Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJJ
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BU of 5mjj by Molmil
Single-shot pink beam serial crystallography: Lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.750092 Å)
Cite:Single-shot pink beam serial crystallography: Lysozyme
To Be Published
5MNC
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BU of 5mnc by Molmil
Cationic trypsin in complex with aniline (deuterated sample at 100 K)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.916 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MNK
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BU of 5mnk by Molmil
Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
Descriptor: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.799 Å)
Cite:Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
to be published
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8J4L
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BU of 8j4l by Molmil
X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
Descriptor: 1H-1,2,3-triazole-5-thiol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
To Be Published
8J9B
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BU of 8j9b by Molmil
LnaB-actin binary complex
Descriptor: Actin gamma 1, Type IV secretion protein Dot
Authors:Chen, T.T, Ouyang, S.Y.
Deposit date:2023-05-03
Release date:2024-05-08
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structure of Legionella effector LnaB-actin binary complex
To Be Published
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
5MLA
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BU of 5mla by Molmil
Crystal structure of human RAS in complex with darpin K55
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
5MJC
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BU of 5mjc by Molmil
metNeuroglobin under oxygen at 50 bar
Descriptor: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJV
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BU of 5mjv by Molmil
Rebuild and re-refined model for Human Parechovirus 1
Descriptor: CAPSID SUBUNIT VP0, CAPSID SUBUNIT VP1, CAPSID SUBUNIT VP3, ...
Authors:Shakeel, S, Dykeman, E.C, White, S.J, Ora, A, Cockburn, J.J.B, Butcher, S.J, Stockley, P.G, Twarock, R.
Deposit date:2016-12-01
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Genomic RNA folding mediates assembly of human parechovirus.
Nat Commun, 8, 2017
5MNF
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BU of 5mnf by Molmil
Cationic trypsin in its apo form (deuterated sample at 295 K)
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNM
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BU of 5mnm by Molmil
Cationic trypsin in complex with benzylamine (at 295 K)
Descriptor: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Cationic trypsin in complex with benzylamine (at 295 K)
to be published
5MNS
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BU of 5mns by Molmil
Structural and functional characterization of OleP in complex with 6DEB in sodium formate
Descriptor: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
5MOR
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BU of 5mor by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
Descriptor: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
Cite:Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
5M9S
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BU of 5m9s by Molmil
Human angiogenin ALS variant V103I
Descriptor: Angiogenin, D(-)-TARTARIC ACID
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-02
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MAM
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BU of 5mam by Molmil
Human insulin in complex with serotonin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
Deposit date:2016-11-03
Release date:2017-04-05
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
Descriptor: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Comparison of cocktail versus single soaking experimets
To Be Published

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数据于2024-10-16公开中

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