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7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
Descriptor: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
2Z2M
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BU of 2z2m by Molmil
Cefditoren-Acylated Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID, Penicillin-binding protein 2X, SULFATE ION
Authors:Yamada, M, Watanabe, T, Takeuchi, Y.
Deposit date:2007-05-23
Release date:2007-09-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Cefditoren Complexed with Streptococcus pneumoniae Penicillin-Binding Protein 2X: Structural Basis for its High Antimicrobial Activity
Antimicrob.Agents Chemother., 51, 2007
8HGK
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BU of 8hgk by Molmil
Crystal structure of human ClpP in complex with ZK53
Descriptor: 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Yang, C.-G, Gan, J.H, Zhou, L.-L.
Deposit date:2022-11-14
Release date:2023-09-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective activator of human ClpP triggers cell cycle arrest to inhibit lung squamous cell carcinoma.
Nat Commun, 14, 2023
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ...
Authors:Yang, J, Lin, S, Lu, G.W.
Deposit date:2022-10-13
Release date:2023-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
4KMX
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BU of 4kmx by Molmil
Human folate receptor alpha (FOLR1) at acidic pH, hexagonal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wibowo, A.S, Dann III, C.E.
Deposit date:2013-05-08
Release date:2013-08-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
2ZD8
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BU of 2zd8 by Molmil
SHV-1 class A beta-lactamase complexed with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Nukaga, M, Knox, J.R, Hujer, A, Bonomo, R.A.
Deposit date:2007-11-20
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1.
J.Am.Chem.Soc., 130, 2008
1SM7
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BU of 1sm7 by Molmil
Solution structure of the recombinant pronapin precursor, BnIb.
Descriptor: recombinant Ib pronapin
Authors:Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J.
Deposit date:2004-03-08
Release date:2005-02-01
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties.
Biochemistry, 43, 2004
7M6M
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BU of 7m6m by Molmil
Full length alpha1 Glycine receptor in presence of 32uM Tetrahydrocannabinol
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6N
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Full length alpha1 Glycine receptor in presence of 0.1mM Glycine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6Q
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BU of 7m6q by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 1
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6R
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BU of 7m6r by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6S
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BU of 7m6s by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6O
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BU of 7m6o by Molmil
Full length alpha1 Glycine receptor in presence of 0.1mM Glycine and 32uM Tetrahydrocannabinol
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6P
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BU of 7m6p by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
1SMR
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BU of 1smr by Molmil
The 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen
Descriptor: INHIBITOR CH-66, RENIN
Authors:Dealwis, C.G, Blundell, T.L.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen.
J.Mol.Biol., 236, 1994
2ZA0
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BU of 2za0 by Molmil
Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin
Descriptor: Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Authors:Okumura, H, Kawatani, M, Osada, H.
Deposit date:2007-09-26
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I
Proc.Natl.Acad.Sci.Usa, 105, 2008
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
8H5T
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BU of 8h5t by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-015
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-015, Spike protein S1
Authors:Yang, J, Lin, S, Lu, G.W.
Deposit date:2022-10-13
Release date:2023-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
1S7P
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BU of 1s7p by Molmil
Solution structure of thermolysin digested microcin J25
Descriptor: microcin J25
Authors:Rosengren, K.J, Blond, A, Afonso, C, Tabet, J.C, Rebuffat, S, Craik, D.J.
Deposit date:2004-01-30
Release date:2004-06-15
Last modified:2011-07-27
Method:SOLUTION NMR
Cite:Structure of thermolysin cleaved microcin J25: extreme stability of a two-chain antimicrobial peptide devoid of covalent links
Biochemistry, 43, 2004
8HLG
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BU of 8hlg by Molmil
Crystal structure of MoaE
Descriptor: Molybdenum cofactor biosynthesis protein D/E, SULFATE ION
Authors:Cai, J, Zhao, Y.
Deposit date:2022-11-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans.
Int J Mol Sci, 24, 2023
1SGF
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BU of 1sgf by Molmil
CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NERVE GROWTH FACTOR, ...
Authors:Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q.
Deposit date:1997-08-08
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins.
Structure, 5, 1997
1SDE
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BU of 1sde by Molmil
Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor
Descriptor: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
Deposit date:2004-02-13
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Biochemistry, 43, 2004
1SKX
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BU of 1skx by Molmil
Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
Descriptor: Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
1SOJ
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BU of 1soj by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-15
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004

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