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The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor:	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Levy, C.W, Leys, D.
Deposit date:	2018-02-08
Release date:	2019-08-21
Last modified:	2024-05-01
Method:	X-RAY DIFFRACTION (2.03 Å)
Cite:	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

6FOX

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor:	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Levy, C.W, Leys, D.
Deposit date:	2018-02-08
Release date:	2019-08-21
Last modified:	2024-05-01
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

8OVR

Clostridium perfringens chitinase CP56_3454 apo form
Descriptor:	Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
Authors:	Bloch, Y, Savvides, S.N.
Deposit date:	2023-04-26
Release date:	2023-07-12
Last modified:	2024-06-19
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Clostridium perfringens chitinase CP56_3454 apo form To Be Published

8OWF

Clostridium perfringens chitinase CP4_3455 with chitosan
Descriptor:	2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
Authors:	Bloch, Y, Savvides, S.N.
Deposit date:	2023-04-27
Release date:	2023-07-12
Last modified:	2024-06-19
Method:	X-RAY DIFFRACTION (1.3 Å)
Cite:	Clostridium perfringens chitinase CP4_3455 with chitosan To Be Published

1YT5

Crystal structure of NAD kinase from Thermotoga maritima
Descriptor:	SULFATE ION, inorganic polyphosphate/ATP-NAD kinase
Authors:	Berkeley Structural Genomics Center (BSGC)
Deposit date:	2005-02-09
Release date:	2005-04-05
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Structure of a NAD kinase from Thermotoga maritima at 2.3 A resolution. Acta Crystallogr.,Sect.F, 61, 2005

6RPP

Crystal structure of PabCDC21-1 intein
Descriptor:	ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER
Authors:	Mikula, K.M, Beyer, H.M, Iwai, H.
Deposit date:	2019-05-14
Release date:	2019-08-14
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site. Extremophiles, 23, 2019

7C7J

Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
Descriptor:	CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:	Xiao, L.X, Pan, L.F.
Deposit date:	2020-05-25
Release date:	2021-05-05
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.39 Å)
Cite:	Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3. Chin.J.Chem., 38, 2020

7C7I

Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Descriptor:	CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:	Xiao, L.X, Pan, L.F.
Deposit date:	2020-05-25
Release date:	2021-05-05
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.28 Å)
Cite:	Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3. Chin.J.Chem., 38, 2020

7JY2

Z-DNA joint X-ray/Neutron
Descriptor:	Chains: A,B
Authors:	Harp, J.M, Coates, L, Egli, M.
Deposit date:	2020-08-28
Release date:	2021-04-28
Last modified:	2024-04-03
Method:	NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:	Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021

6MF0

Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:	Smith, I.W, Spiegel, P.C.
Deposit date:	2018-09-07
Release date:	2019-09-11
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (3.19999886 Å)
Cite:	The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020

6MF2

Improved Model of Human Coagulation Factor VIII
Descriptor:	CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ...
Authors:	Smith, I.W, Spiegel, P.C.
Deposit date:	2018-09-08
Release date:	2019-09-11
Last modified:	2020-07-29
Method:	X-RAY DIFFRACTION (3.609364 Å)
Cite:	The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020

7PQO

Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
Descriptor:	Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
Authors:	Harmat, V, Fodor, K, Heja, D.
Deposit date:	2021-09-17
Release date:	2022-05-18
Last modified:	2024-01-31
Method:	X-RAY DIFFRACTION (3.39 Å)
Cite:	Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022

1OWN

DATA3:DNA photolyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor:	Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:	Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:	2003-03-28
Release date:	2004-04-13
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004

1OWO

DATA4:photoreduced DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor:	Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:	Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:	2003-03-28
Release date:	2004-04-13
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004

1OWM

DATA1:DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor:	Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:	Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:	2003-03-28
Release date:	2004-04-13
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004

1Q9E

RNase T1 variant with adenine specificity
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Guanyl-specific ribonuclease T1 precursor
Authors:	Czaja, R, Struhalla, M, Hoeschler, K, Saenger, W, Straeter, N, Hahn, U.
Deposit date:	2003-08-25
Release date:	2004-03-23
Last modified:	2023-08-16
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	RNase T1 Variant RV Cleaves Single-Stranded RNA after Purines Due to Specific Recognition by the Asn46 Side Chain Amide. Biochemistry, 43, 2004

1R80

Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate
Descriptor:	Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1R81

Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate-N-acetyl-galactose
Descriptor:	Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, ...
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1R7V

Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor
Descriptor:	Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (2.09 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1R7T

Glycosyltransferase A in complex with 3-deoxy-acceptor analog inhibitor
Descriptor:	Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (2.09 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1OWL

Structure of apophotolyase from Anacystis nidulans
Descriptor:	Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:	Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:	2003-03-28
Release date:	2004-04-13
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004

1R7X

Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor
Descriptor:	Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (1.97 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1OWP

DATA6:photoreduced DNA pholyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor:	Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:	Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:	2003-03-28
Release date:	2004-04-13
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004

1R7Y

Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate
Descriptor:	Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

1R7U

Glycosyltransferase B in complex with 3-deoxy-acceptor analog inhibitor
Descriptor:	Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside
Authors:	Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:	2003-10-22
Release date:	2004-02-10
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (1.61 Å)
Cite:	The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003

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