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6YS1
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BU of 6ys1 by Molmil
Crystal structure of FAP R451K mutant in the dark at 100K
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID, ...
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YMH
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BU of 6ymh by Molmil
X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP
Descriptor: FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
Authors:Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
Deposit date:2020-04-08
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.417 Å)
Cite:Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
4YW6
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BU of 4yw6 by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: CALCIUM ION, N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide, PA-I galactophilic lectin
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
8D9I
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BU of 8d9i by Molmil
gRAMP non-matching PFS-with Mg
Descriptor: RAMP superfamily protein, RNA (35-MER), RNA (5'-R(P*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*A)-3'), ...
Authors:Hu, C, Nam, K.H, Schuler, G, Ke, A.
Deposit date:2022-06-09
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Craspase is a CRISPR RNA-guided, RNA-activated protease.
Science, 377, 2022
6HYG
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BU of 6hyg by Molmil
Heteromeric tandem IgG4/IgG1 Fc
Descriptor: IgHG1 and IgHG4 hybrid, ZINC ION
Authors:Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
Deposit date:2018-10-21
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
8B6U
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BU of 8b6u by Molmil
Mpf2Ba1 monomer
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
8B6W
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BU of 8b6w by Molmil
Mpf2Ba1 pore
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
4YW7
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BU of 4yw7 by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin, ...
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
8UO8
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BU of 8uo8 by Molmil
Structure of synaptic vesicle protein 2B with padsevonil
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4R)-4-(2-chloro-2,2-difluoroethyl)-1-{[(4R)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], ...
Authors:Martin, M.F, Mittal, A, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A.
Deposit date:2023-10-19
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
7NYQ
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BU of 7nyq by Molmil
Crystal structure of the Mei-P26 NHL domain
Descriptor: Meiotic P26, isoform C
Authors:Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S.
Deposit date:2021-03-23
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26.
Life Sci Alliance, 5, 2022
8B6V
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BU of 8b6v by Molmil
Mp2Ba1 pre-pore
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
8UOA
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BU of 8uoa by Molmil
Structure of the synaptic vesicle protein 2A Luminal domain in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, Synaptic vesicle glycoprotein 2A, ...
Authors:Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A.
Deposit date:2023-10-19
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
8UO9
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BU of 8uo9 by Molmil
Structure of synaptic vesicle protein 2A in complex with a nanobody
Descriptor: (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A.
Deposit date:2023-10-19
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
5XWS
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BU of 5xws by Molmil
Crystal structure of SALM5 LRR-Ig
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat and fibronectin type-III domain-containing protein 5
Authors:Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.084 Å)
Cite:Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
7UP7
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BU of 7up7 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
Descriptor: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
5JZ7
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BU of 5jz7 by Molmil
NGF IN COMPLEX WITH MEDI578 scFv
Descriptor: Beta-nerve growth factor, MEDI578 scFv, heavy chain, ...
Authors:Olsson, L.-L, Aagaard, A.
Deposit date:2016-05-16
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo.
Sci Rep, 6, 2016
7CU1
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BU of 7cu1 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE (THAL) IN COMPLEX WITH FAD and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
7CEE
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BU of 7cee by Molmil
Crystal structure of mouse neuroligin-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3
Authors:Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
Deposit date:2020-06-23
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
7CEG
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BU of 7ceg by Molmil
Crystal structure of the complex between mouse PTP delta and neuroligin-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform C of Receptor-type tyrosine-protein phosphatase delta, Neuroligin-3
Authors:Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
Deposit date:2020-06-23
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
5ITO
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BU of 5ito by Molmil
Structure of the periplasmic binding protein M117N-NocT from A. tumefaciens in complex with octopine
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, DI(HYDROXYETHYL)ETHER, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2016-03-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
7BGO
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BU of 7bgo by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Zn (space group P65)
Descriptor: DUF2796 domain-containing protein, ZINC ION
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-01-08
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
4YWA
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BU of 4ywa by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
4Z2R
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BU of 4z2r by Molmil
Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica
Descriptor: 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kanteev, M, Bregman-Cohen, A, Fishman, A.
Deposit date:2015-03-30
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism.
Biochim.Biophys.Acta, 1854, 2015
4ZZY
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BU of 4zzy by Molmil
Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
Descriptor: 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2
Authors:Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A.
Deposit date:2015-04-15
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015

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數據於2024-07-10公開中

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