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8WPL
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BU of 8wpl by Molmil
Cryo-EM structure of the human TRPC1/C4 heteromer
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Won, J, Jeong, H, Lee, H.H.
Deposit date:2023-10-10
Release date:2024-10-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Cryo-EM structure of the heteromeric TRPC1/TRPC4 channel.
Nat.Struct.Mol.Biol., 32, 2025
8WPN
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BU of 8wpn by Molmil
Cryo-EM structure of the human TRPC4 in lipid nanodiscs
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Won, J, Jeong, H, Lee, H.H.
Deposit date:2023-10-10
Release date:2024-10-16
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Cryo-EM structure of the heteromeric TRPC1/TRPC4 channel.
Nat.Struct.Mol.Biol., 32, 2025
8WPM
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BU of 8wpm by Molmil
Cryo-EM structure of the human TRPC1/C4 heteromer in complex with Pico145
Descriptor: 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione, CALCIUM ION, Short transient receptor potential channel 1, ...
Authors:Won, J, Jeong, H, Lee, H.H.
Deposit date:2023-10-10
Release date:2024-10-16
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Cryo-EM structure of the heteromeric TRPC1/TRPC4 channel.
Nat.Struct.Mol.Biol., 32, 2025
1PSA
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BU of 1psa by Molmil
STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR
Descriptor: N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A
Authors:Chen, L, Abad-Zapatero, C.
Deposit date:1991-10-22
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48, 1992
1MTU
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BU of 1mtu by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN
Authors:Stubbs, M.T.
Deposit date:1997-05-16
Release date:1997-11-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
1MTW
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BU of 1mtw by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, TRYPSIN
Authors:Stubbs, M.T.
Deposit date:1997-05-16
Release date:1997-11-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
1N49
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BU of 1n49 by Molmil
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
Descriptor: Protease, RITONAVIR
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2002-10-30
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
1HCG
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BU of 1hcg by Molmil
STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION
Descriptor: BLOOD COAGULATION FACTOR XA
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-05-05
Release date:1995-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human des(1-45) factor Xa at 2.2 A resolution.
J.Mol.Biol., 232, 1993
1MTS
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BU of 1mts by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN
Authors:Stubbs, M.T.
Deposit date:1997-05-16
Release date:1997-08-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
1MTV
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BU of 1mtv by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN
Authors:Stubbs, M.T.
Deposit date:1997-05-16
Release date:1997-11-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
7C0I
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BU of 7c0i by Molmil
Crystal structure of chimeric mutant of E3L in complex with Z-DNA
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-binding protein,Double-stranded RNA-specific adenosine deaminase, SULFATE ION
Authors:Choi, H.J, Park, C.H, Kim, J.S.
Deposit date:2020-05-01
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
7C0J
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BU of 7c0j by Molmil
Crystal structure of chimeric mutant of GH5 in complex with Z-DNA
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase
Authors:Choi, H.J, Park, C.H.
Deposit date:2020-05-01
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Authors:Judge, R.A, Salem, A.H.
Deposit date:2021-01-21
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
8ZV8
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BU of 8zv8 by Molmil
Crystal structure of VHL-EloB-EloC in complex with a fragment compound 7HC_2 (D7)
Descriptor: 4-(hydroxymethyl)-7-oxidanyl-chromen-2-one, Elongin-B, Elongin-C, ...
Authors:Lee, B.I, Kim, Y, Baek, S.J.
Deposit date:2024-06-11
Release date:2024-12-18
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Identification of novel 7-hydroxycoumarin derivatives as ELOC binders with potential to modulate CRL2 complex formation.
Sci Rep, 15, 2025
8ZVJ
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BU of 8zvj by Molmil
Crystal structure of VHL-EloB-EloC in complex with a fragment compound 7HC_1(DE22)
Descriptor: Elongin-B, Elongin-C, ethyl 7-oxidanyl-2-oxidanylidene-chromene-4-carboxylate, ...
Authors:Lee, B.I, Kim, Y, Baek, S.J.
Deposit date:2024-06-11
Release date:2024-12-18
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of novel 7-hydroxycoumarin derivatives as ELOC binders with potential to modulate CRL2 complex formation.
Sci Rep, 15, 2025
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1TFX
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BU of 1tfx by Molmil
COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TISSUE FACTOR PATHWAY INHIBITOR, TRYPSIN
Authors:Stubbs, M.T, Huber, R.
Deposit date:1997-01-21
Release date:1998-01-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
1CEB
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BU of 1ceb by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID)
Descriptor: PLASMINOGEN, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1995-12-03
Release date:1996-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
1CEA
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BU of 1cea by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH EACA (EPSILON-AMINOCAPROIC ACID)
Descriptor: 6-AMINOHEXANOIC ACID, PLASMINOGEN
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1995-12-03
Release date:1996-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
1FAX
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BU of 1fax by Molmil
COAGULATION FACTOR XA INHIBITOR COMPLEX
Descriptor: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA
Authors:Brandstetter, H, Engh, R.A.
Deposit date:1996-08-23
Release date:1997-10-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition.
J.Biol.Chem., 271, 1996
1V3X
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BU of 1v3x by Molmil
Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine
Descriptor: (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2003-11-07
Release date:2004-11-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
Descriptor: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2004-11-29
Release date:2005-11-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
1XKA
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BU of 1xka by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1XKB
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BU of 1xkb by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
2XTX
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BU of 2xtx by Molmil
Structure of QnrB1 (M102R-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein
Descriptor: QNRB1, SULFATE ION
Authors:Vetting, M.W, Hegde, S.S, Park, C.H, Jacoby, G.A, Hooper, D.C, Blanchard, J.S.
Deposit date:2010-10-12
Release date:2010-10-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Qnrb1, a Plasmid-Mediated Fluoroquinolone Resistance Factor.
J.Biol.Chem., 286, 2011

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