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7VYP
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BU of 7vyp by Molmil
The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-15
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VZY
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BU of 7vzy by Molmil
The structure of GdmN complex with AMP and 20-O-methyl-19-chloroproansamitocin
Descriptor: (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-17
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYO
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BU of 7vyo by Molmil
The structure of GdmN
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VZZ
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BU of 7vzz by Molmil
The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin
Descriptor: (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-17
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
5V4X
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BU of 5v4x by Molmil
Human glucokinase in complex with novel pyrazole activator.
Descriptor: (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Skene, R.J, Hosfiled, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
Descriptor: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.J.
Deposit date:2020-11-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
1DJX
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BU of 1djx by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-1,4,5-TRISPHOSPHATE
Descriptor: ACETATE ION, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-08-24
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C.
Biochemistry, 36, 1997
2EXV
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BU of 2exv by Molmil
Crystal structure of the F7A mutant of the cytochrome c551 from Pseudomonas aeruginosa
Descriptor: ACETIC ACID, Cytochrome c-551, HEME C
Authors:Bonivento, D, Di Matteo, A, Borgia, A, Travaglini-Allocatelli, C, Brunori, M.
Deposit date:2005-11-09
Release date:2006-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Unveiling a Hidden Folding Intermediate in c-Type Cytochromes by Protein Engineering
J.Biol.Chem., 281, 2006
1DF0
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BU of 1df0 by Molmil
Crystal structure of M-Calpain
Descriptor: CALPAIN, M-CALPAIN
Authors:Hosfield, C.M, Elce, J.S, Davies, P.L, Jia, Z.
Deposit date:1999-11-16
Release date:2000-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of calpain reveals the structural basis for Ca(2+)-dependent protease activity and a novel mode of enzyme activation.
EMBO J., 18, 1999
7CE4
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BU of 7ce4 by Molmil
Tankyrase2 catalytic domain in complex with K-476
Descriptor: 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
Authors:Takahashi, Y, Suzuki, M, Saito, J.
Deposit date:2020-06-22
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
5B5T
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BU of 5b5t by Molmil
Crystal Structure of Escherichia coli Gamma-Glutamyltranspeptidase in Complex with peptidyl phosphonate inhibitor 1b
Descriptor: (2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid, CALCIUM ION, Gamma-glutamyltranspeptidase large chain, ...
Authors:Wada, K, Fukuyama, K.
Deposit date:2016-05-18
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Phosphonate-based irreversible inhibitors of human gamma-glutamyl transpeptidase (GGT). GGsTop is a non-toxic and highly selective inhibitor with critical electrostatic interaction with an active-site residue Lys562 for enhanced inhibitory activity
Bioorg.Med.Chem., 24, 2016
1IQW
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BU of 1iqw by Molmil
CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF THE MOUSE ANTI-HUMAN FAS ANTIBODY HFE7A
Descriptor: ANTIBODY M-HFE7A, HEAVY CHAIN, LIGHT CHAIN
Authors:Ito, S, Takayama, T, Hanzawa, H, Ichikawa, K, Ohsumi, J, Serizawa, N, Hata, T, Haruyama, H.
Deposit date:2001-08-10
Release date:2002-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the antigen-binding fragment of apoptosis-inducing mouse anti-human Fas monoclonal antibody HFE7A.
J.Biochem., 131, 2002
5FLY
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BU of 5fly by Molmil
The FhuD protein from S.pseudintermedius
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, CADMIUM ION, CHLORIDE ION, ...
Authors:Malito, E.
Deposit date:2015-10-29
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Crystal Structure of Fhud at 1.6 Angstrom Resolution: A Ferrichrome-Binding Protein from the Animal and Human Pathogen Staphylococcus Pseudintermedius
Acta Crystallogr.,Sect.F, 72, 2016
5GZ6
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BU of 5gz6 by Molmil
Structure of D-amino acid dehydrogenase in complex with NADPH and 2-keto-6-aminocapronic acid
Descriptor: 6-azanyl-2-oxidanylidene-hexanoic acid, ACETATE ION, Meso-diaminopimelate D-dehydrogenase, ...
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
5GZ3
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BU of 5gz3 by Molmil
Structure of D-amino acid dehydrogenase in complex with NADP
Descriptor: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
5GZ1
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BU of 5gz1 by Molmil
Structure of substrate/cofactor-free D-amino acid dehydrogenase
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
5KZV
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BU of 5kzv by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZY
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BU of 5kzy by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZZ
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BU of 5kzz by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form
Descriptor: ACETATE ION, GLYCEROL, Smoothened, ...
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
2E0O
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BU of 2e0o by Molmil
Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L)
Descriptor: GLYCEROL, Ribonuclease, SULFATE ION
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
2E0L
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BU of 2e0l by Molmil
Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Descriptor: CADMIUM ION, CHLORIDE ION, Ribonuclease
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
2E0J
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BU of 2e0j by Molmil
Mutant Human Ribonuclease 1 (R31L, R32L)
Descriptor: Ribonuclease
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
1NTD
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BU of 1ntd by Molmil
STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE MUTANT M150E THAT CONTAINS ZINC
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Murphy, M.E.P, Adman, E.T, Turley, S.
Deposit date:1995-07-03
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc.
Biochemistry, 34, 1995
1VEC
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BU of 1vec by Molmil
Crystal structure of the N-terminal domain of rck/p54, a human DEAD-box protein
Descriptor: ATP-dependent RNA helicase p54, L(+)-TARTARIC ACID, ZINC ION
Authors:Hogetsu, K, Matsui, T, Yukihiro, Y, Tanaka, M, Sato, T, Kumasaka, T, Tanaka, N.
Deposit date:2004-03-29
Release date:2004-04-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insight of human DEAD-box protein rck/p54 into its substrate recognition with conformational changes
Genes Cells, 11, 2006

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