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DNM

DNM
Name:	N-methyl-D-norleucine
Formula:	C7 H15 N O2
SMILES:	C(C(NC)CCCC)(=O)O
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:	2003-11-17
Last modified:	2024-09-27
Identifier:	N-methyl-D-norleucine

DO2

DO2
Name:	5,5-dihydroxy-6-oxo-L-norleucine
Formula:	C6 H11 N O5
SMILES:	O=CC(O)(O)CCC(N)C(=O)O
InChi:	InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1
Definition date:	2000-01-07
Last modified:	2024-09-27
Identifier:	5,5-dihydroxy-6-oxo-L-norleucine

DTU

DTU
Name:	(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
Formula:	C4 H10 O2 S2
SMILES:	SCC(O)C(O)CS
InChi:	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
Definition date:	2004-06-18
Last modified:	2024-09-27
Identifier:	(2R,3S)-1,4-disulfanylbutane-2,3-diol

DTV

DTV
Name:	(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL
Formula:	C4 H10 O2 S2
SMILES:	SCC(O)C(O)CS
InChi:	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1
Definition date:	2004-06-18
Last modified:	2024-09-27
Identifier:	(2S,3S)-1,4-disulfanylbutane-2,3-diol

DWZ

DWZ
Name:	(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C17 H27 N3 O5 S
SMILES:	CN(C)C(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C)O)CN1
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15+/m1/s1
Synonyms:	Meropenem, bound form
Definition date:	2008-07-25
Last modified:	2024-09-27
Identifier:	(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

DYA

DYA
Name:	DIDEHYDROASPARTATE
Formula:	C4 H5 N O4
SMILES:	NC(=CC(O)=O)C(O)=O
InChi:	InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-
Definition date:	2015-04-24
Last modified:	2024-09-27
Release date:	2016-04-13
Identifier:	(Z)-2-azanylbut-2-enedioic acid

6FL

6FL
Name:	5,5,5,5',5',5'-hexafluoro-L-leucine
Formula:	C6 H7 F6 N O2
SMILES:	FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F
InChi:	InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	5,5,5,5',5',5'-hexafluoro-L-leucine

LVN

LVN
Name:	(3S)-4-oxo-L-valine
Formula:	C5 H9 N O3
SMILES:	C[CH](C=O)[CH](N)C(O)=O
InChi:	InChI=1S/C5H9NO3/c1-3(2-7)4(6)5(8)9/h2-4H,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
Synonyms:	(2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid
Definition date:	2009-11-29
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-azanyl-3-methyl-4-oxo-butanoic acid

LYF

LYF
Name:	(2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
Formula:	C13 H22 N2 O7
SMILES:	O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O
InChi:	InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9-/m0/s1
Definition date:	2011-10-25
Last modified:	2024-09-27
Identifier:	(2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid

LYH

LYH
Name:	3,4 ENE-LYSINE
Formula:	C6 H12 N2 O2
SMILES:	O=C(O)C(/C=C/CCN)N
InChi:	InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
Synonyms:	(2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID
Definition date:	2011-03-14
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	(2S,3E)-2,6-diaminohex-3-enoic acid

LYJ

LYJ
Name:	(2S)-2,6-diaminohexan-1-ol
Formula:	C6 H16 N2 O
SMILES:	OCC(N)CCCCN
InChi:	InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
Definition date:	2012-01-18
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexan-1-ol

LYK

LYK
Name:	(2S)-2,6-diaminohexane-1,1-diol
Formula:	C6 H16 N2 O2
SMILES:	OC(O)C(N)CCCCN
InChi:	InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1
Definition date:	2010-10-08
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexane-1,1-diol

M2L

M2L
Name:	(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
Formula:	C7 H16 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN(C)C
InChi:	InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
Definition date:	2008-04-09
Last modified:	2024-09-27
Identifier:	S-[2-(dimethylamino)ethyl]-L-cysteine

NFF

NFF
Name:	(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C21 H24 N2 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c2ccccc2ccc3OCC
InChi:	InChI=1S/C21H24N2O5S/c1-4-28-15-10-9-12-7-5-6-8-13(12)16(15)18(25)22-14(11-24)19-23-17(20(26)27)21(2,3)29-19/h5-11,14,17,19,23H,4H2,1-3H3,(H,22,25)(H,26,27)/t14-,17+,19-/m1/s1
Synonyms:	Nafcillin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

NOT

NOT
Name:	6-azido-L-norleucine
Formula:	C6 H12 N4 O2
SMILES:	[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:	InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:	AZIDONORLEUCINE
Definition date:	2009-05-08
Last modified:	2024-09-27
Identifier:	6-azido-L-norleucine

NQG

NQG
Name:	5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
Formula:	C28 H39 N9 O7
SMILES:	O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N
InChi:	InChI=1S/C28H39N9O7/c1-2-44-23(39)14-22(38)27(43)36-19(9-5-11-29)25(41)35-20(10-6-12-33-28(31)32)26(42)37-21(24(30)40)13-16-15-34-18-8-4-3-7-17(16)18/h3-4,7-8,15,19-22,34,38H,2,5-6,9-10,12-14H2,1H3,(H2,30,40)(H,35,41)(H,36,43)(H,37,42)(H4,31,32,33)/t19-,20-,21-,22-/m0/s1
Definition date:	2006-11-09
Last modified:	2024-09-27
Identifier:	5-azanylidyne-N-[(2S)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-L-norvalyl-L-arginyl-L-tryptophanamide

ML3

ML3
Name:	2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium
Formula:	C8 H19 N2 O2 S
SMILES:	O=C(O)C(N)CSCC[N+](C)(C)C
InChi:	InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1
Definition date:	2008-02-19
Last modified:	2024-09-27
Identifier:	2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium

MP8

MP8
Name:	(4R)-4-methyl-L-proline
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1NCC(C)C1
InChi:	InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
Definition date:	2009-08-18
Last modified:	2024-09-27
Identifier:	(4R)-4-methyl-L-proline

MVA

MVA
Name:	N-METHYLVALINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(NC)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-valine

MYK

MYK
Name:	N~6~-tetradecanoyl-L-lysine
Formula:	C20 H40 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
Synonyms:	N6-myristoyl lysine
Definition date:	2011-10-17
Last modified:	2024-09-27
Identifier:	N~6~-tetradecanoyl-L-lysine

8BB

8BB
Name:	trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
Formula:	C10 H16 N2 O3 S
SMILES:	O=C(O)C1CCC(C(=O)NC(=CS)N)CC1
InChi:	InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7-
Definition date:	2012-01-04
Last modified:	2024-09-27
Identifier:	trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid

OBS

OBS
Name:	(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O7 S
SMILES:	O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O
InChi:	InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2024-09-27
Identifier:	(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

OEM

OEM
Name:	N-methyl-D-aspartic acid
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(NC)CC(=O)O
InChi:	InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:	2010-08-17
Last modified:	2024-09-27
Identifier:	N-methyl-D-aspartic acid

OIB

OIB
Name:	hydroxylated gamma-amino valeroyl moiety
Formula:	C6 H13 N O5
SMILES:	CO[CH](CN)[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
Synonyms:	(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
Definition date:	2022-09-08
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid

OIL

OIL
Name:	(2S,3S)-2-hydroxy-3-methylpentanoic acid
Formula:	C6 H12 O3
SMILES:	O=C(O)C(O)C(C)CC
InChi:	InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Definition date:	2011-01-13
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-hydroxy-3-methylpentanoic acid

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