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5MCQ
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BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
8TED
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BU of 8ted by Molmil
PorX primitive orthorhombic crystal form
Descriptor: ACETATE ION, BROMIDE ION, CALCIUM ION, ...
Authors:Saran, A, Zeytuni, N.
Deposit date:2023-07-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PorX primitive orthorhombic crystal form
To Be Published
1TD0
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BU of 1td0 by Molmil
Viral capsid protein SHP at pH 5.5
Descriptor: Head decoration protein
Authors:Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
Deposit date:2004-05-21
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
4CMS
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BU of 4cms by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES IV. STRUCTURE AND REFINEMENT AT 2.2 ANGSTROMS RESOLUTION OF BOVINE CHYMOSIN
Descriptor: CHYMOSIN B
Authors:Newman, M, Frazao, C, Khan, G, Tickle, I.J, Blundell, T.L, Safro, M, Andreeva, N, Zdanov, A.
Deposit date:1991-11-01
Release date:1991-11-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray analyses of aspartic proteinases. IV. Structure and refinement at 2.2 A resolution of bovine chymosin.
J.Mol.Biol., 221, 1991
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-24
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
8TEF
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BU of 8tef by Molmil
PorX primitive monoclinic crystal form
Descriptor: MAGNESIUM ION, Response regulator receiver protein, SULFATE ION
Authors:Saran, A, Zeytuni, N.
Deposit date:2023-07-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:PorX primitive monoclinic crystal form
To Be Published
6RUH
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BU of 6ruh by Molmil
Ni-substituted alpha-Keggin bound to Proteinase K solved by MR
Descriptor: Ni-substituted alpha-Keggin, Proteinase K, SULFATE ION
Authors:Breibeck, J, Bijelic, A, Rompel, A.
Deposit date:2019-05-28
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
5MDK
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BU of 5mdk by Molmil
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form (oxidized state - state 3)
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ...
Authors:Schmidt, A, Kalms, J, Scheerer, P.
Deposit date:2016-11-11
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8T9A
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BU of 8t9a by Molmil
CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
Descriptor: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3
Authors:Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y.
Deposit date:2023-06-23
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
6RTE
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BU of 6rte by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Descriptor: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C
Authors:Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
Descriptor: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
Authors:Lucic, A, Hinchliffe, P, Schofield, C.
Deposit date:2023-06-23
Release date:2023-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Metallo beta-lactamase VIM2 with compound AK110
To Be Published
8TOK
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BU of 8tok by Molmil
nhTMEM16 lipid scramblase in lipid nanodiscs with MSP2N2 scaffold protein in the presence of Ca2+ (open state)
Descriptor: CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-03
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
6S21
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BU of 6s21 by Molmil
Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33494S-sulf)
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Endo-4-O-sulfatase
Authors:Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A.
Deposit date:2019-06-19
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Nat Commun, 11, 2020
4CWR
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BU of 4cwr by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
8TPR
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BU of 8tpr by Molmil
nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (short TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TPQ
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BU of 8tpq by Molmil
nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (long TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
5MB4
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BU of 5mb4 by Molmil
Crystal Structure of the Psathyrella asperospora lectin PAL in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GlcNAc specific lectin, ...
Authors:Ribeiro, J, Varrot, A.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical characterization and structural determination of the potent cytotoxic Psathyrella asperospora lectin.
Proteins, 85, 2017
8TPM
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BU of 8tpm by Molmil
nhTMEM16 lipid scramblase in lipid nanodiscs with MSP1E3 scaffold protein in the absence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
4C4K
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BU of 4c4k by Molmil
Crystal structure of the titin M10-Obscurin Ig domain 1 complex
Descriptor: 1,2-ETHANEDIOL, OBSCURIN, TITIN
Authors:Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A.
Deposit date:2013-09-05
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved Yet Specific Muscle M-Band Zipper Module.
J.Mol.Biol., 427, 2015
6S3G
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BU of 6s3g by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant A187C/F291C
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A.
Deposit date:2019-06-25
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
8TPS
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BU of 8tps by Molmil
nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (bent TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8Q7C
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BU of 8q7c by Molmil
Cryo-EM structure of Adenovirus C5 hexon
Descriptor: Hexon protein
Authors:Zoll, S, Dhillon, A.
Deposit date:2023-08-16
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.
J.Virol., 98, 2024
8TPN
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BU of 8tpn by Molmil
nhTMEM16 lipid scramblase in lipid nanodiscs with MSP2N2 scaffold protein in the presence of Ca2+ (intermediate state)
Descriptor: CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
5TXF
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BU of 5txf by Molmil
Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ...
Authors:Manthei, K.A, Glukhova, A, Tesmer, J.J.G.
Deposit date:2016-11-16
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I.
J. Biol. Chem., 292, 2017

223790

数据于2024-08-14公开中

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