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7MDA
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BU of 7mda by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
Authors:Nuthanakanti, A, Serganov, A, Kaushik, A.
Deposit date:2021-04-03
Release date:2021-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
4KL1
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BU of 4kl1 by Molmil
HCN4 CNBD in complex with cGMP
Descriptor: ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A.
Deposit date:2013-05-07
Release date:2014-04-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness.
Nat.Chem.Biol., 10, 2014
3VIV
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BU of 3viv by Molmil
1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide
Descriptor: 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ...
Authors:Yokoyama, H, Matsui, I, Fujii, S.
Deposit date:2011-10-12
Release date:2012-05-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a membrane stomatin-specific protease in complex with a substrate Peptide
Biochemistry, 51, 2012
1QP1
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BU of 1qp1 by Molmil
KAPPA VARIABLE LIGHT CHAIN
Descriptor: BENCE-JONES KAPPA I ANTIBODY BRE (LIGHT CHAIN)
Authors:Steinrauf, L.K.
Deposit date:1999-05-30
Release date:1999-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Molecular structure of the amyloid-forming protein kappa I Bre.
J.Biochem.(Tokyo), 125, 1999
5X7G
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BU of 5x7g by Molmil
Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase
Descriptor: CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, GLYCEROL, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K.
Deposit date:2017-02-26
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
5X7H
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BU of 5x7h by Molmil
Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltoheptaose
Descriptor: CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, MALONATE ION, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K.
Deposit date:2017-02-26
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
3U0T
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BU of 3u0t by Molmil
Fab-antibody complex
Descriptor: Amyloid beta A4 protein, ponezumab HC Fab, ponezumab LC Fab
Authors:LaPorte, S.L, Pons, J.P.
Deposit date:2011-09-29
Release date:2012-01-11
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of C-terminal beta-Amyloid Peptide Binding by the Antibody Ponezumab for the Treatment of Alzheimer's Disease
J.Mol.Biol., 421, 2012
4DPF
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BU of 4dpf by Molmil
BACE-1 in complex with a HEA-macrocyclic type inhibitor
Descriptor: Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide
Authors:Lindberg, J, Borkakoti, N, Derbyshire, D.
Deposit date:2012-02-13
Release date:2012-07-11
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
4DPI
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BU of 4dpi by Molmil
BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512
Descriptor: (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1
Authors:Lindberg, J, Borkakoti, N, Derbyshire, D.
Deposit date:2012-02-13
Release date:2012-07-11
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
5GWP
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BU of 5gwp by Molmil
Crystal structure of RCAR3:PP2C wild-type with (+)-ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S, Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.577 Å)
Cite:Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
6M4B
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BU of 6m4b by Molmil
1510-N membrane-bound stomatin-specific protease S97A mutant
Descriptor: Membrane-bound protease PH1510, SULFATE ION
Authors:Yokoyama, H, Suzuki, K.
Deposit date:2020-03-06
Release date:2020-06-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inactive dimeric structure of the protease domain of stomatin operon partner protein.
Acta Crystallogr.,Sect.D, 76, 2020
5GWO
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BU of 5gwo by Molmil
Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S, Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.816 Å)
Cite:Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
2LXG
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BU of 2lxg by Molmil
NMR solution structure of Mu-conotoxin KIIIA
Descriptor: Mu-conotoxin KIIIA
Authors:Khoo, K.K, Norton, R.S.
Deposit date:2012-08-21
Release date:2013-02-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Distinct disulfide isomers of mu-conotoxins KIIIA and KIIIB block voltage-gated sodium channels.
Biochemistry, 51, 2012
2N8H
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BU of 2n8h by Molmil
Structural basis for the inhibition of voltage-gated sodium channels with conotoxin-muOxi-GVIIJ
Descriptor: conotoxin-muOxi-GVIIJ
Authors:Green, B.R, Chhabra, S, Norton, R.S.
Deposit date:2015-10-15
Release date:2016-02-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Basis for the Inhibition of Voltage-gated Sodium Channels by Conotoxin mu O-GVIIJ.
J.Biol.Chem., 291, 2016
6HHQ
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BU of 6hhq by Molmil
Crystal structure of compound C45 bound to the yeast 80S ribosome
Descriptor: (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Pellegrino, S, Vanderwal, C.D, Yusupov, M.
Deposit date:2018-08-28
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.10000038 Å)
Cite:Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome.
Nucleic Acids Res., 47, 2019
2W0Z
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BU of 2w0z by Molmil
Grb2 SH3C (3)
Descriptor: GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-10-13
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2W10
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BU of 2w10 by Molmil
Mona SH3C in complex
Descriptor: GRB2-RELATED ADAPTOR PROTEIN 2, PHOSPHATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 23
Authors:Harkiolaki, M, Feller, S.M.
Deposit date:2008-10-13
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2VWF
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BU of 2vwf by Molmil
Grb2 SH3C (2)
Descriptor: GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-06-24
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2VVK
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BU of 2vvk by Molmil
Grb2 SH3C (1)
Descriptor: GLYCEROL, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-06-09
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
6ICI
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BU of 6ici by Molmil
Crystal structure of human MICAL3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3
Authors:Hwang, K.Y, Kim, J.S.
Deposit date:2018-09-06
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3.
Iucrj, 7, 2020
1M4H
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BU of 1m4h by Molmil
Crystal Structure of Beta-secretase complexed with Inhibitor OM00-3
Descriptor: Inhibitor OM00-3, beta-Secretase
Authors:Hong, L, Turner, R.T, Koelsch, G, Ghosh, A.K, Tang, J.
Deposit date:2002-07-02
Release date:2002-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Memapsin 2 (beta-Secretase) in Complex with Inhibitor OM00-3
Biochemistry, 41, 2002
1M2C
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BU of 1m2c by Molmil
THREE-DIMENSIONAL STRUCTURE OF ALPHA-CONOTOXIN MII, NMR, 14 STRUCTURES
Descriptor: ALPHA-CONOTOXIN MII
Authors:Shon, K.J, Koerber, S.C, Rivier, J.E, Olivera, B.M, Mcintosh, J.M.
Deposit date:1997-09-15
Release date:1998-12-09
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:A new alpha-conotoxin which targets alpha3beta2 nicotinic acetylcholine receptors.
J.Biol.Chem., 271, 1996
2KHA
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BU of 2kha by Molmil
Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella
Descriptor: Beta-1,3-glucan-binding protein
Authors:Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R.
Deposit date:2009-03-29
Release date:2010-03-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein
Biochemistry, 52, 2013
3TZ1
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BU of 3tz1 by Molmil
Crystal structure of the Ca2+-saturated C-terminal domain of Akazara scallop troponin C in complex with a troponin I fragment
Descriptor: CALCIUM ION, Troponin C, Troponin I
Authors:Yumoto, F, Kato, Y.S, Ohtsuki, I, Tanokura, M.
Deposit date:2011-09-26
Release date:2013-01-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ca2+-saturated C-terminal domain of scallop troponin C in complex with a troponin I fragment
Biol.Chem., 394, 2012
3U23
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BU of 3u23 by Molmil
Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3
Descriptor: 1,2-ETHANEDIOL, CD2-associated protein, Ras and Rab interactor 3
Authors:Simister, P.C, Rouka, E, Janning, M, Muniz, J.R.C, Kirsch, K.H, Knapp, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Krojer, T, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015

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