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1KV1
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p38 MAP Kinase in Complex with Inhibitor 1
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
3W8Q
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Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Nakae, S, Kitamura, M, Shirai, T, Tada, T.
Deposit date:2013-03-20
Release date:2014-03-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation.
Acta Crystallogr.,Sect.F, 77, 2021
1Y1C
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Solution structure of Anemonia elastase inhibitor analogue
Descriptor: Elastase inhibitor
Authors:Hemmi, H, Kumazaki, T, Yoshizawa-Kumagaye, K, Nishiuchi, Y, Yoshida, T, Ohkubo, T, Kobayashi, Y.
Deposit date:2004-11-18
Release date:2005-07-19
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural and Functional Study of an Anemonia Elastase Inhibitor, a "Nonclassical" Kazal-Type Inhibitor from Anemonia sulcata
Biochemistry, 44, 2005
1TPO
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THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: BETA-TRYPSIN, CALCIUM ION
Authors:Bode, W, Walter, J, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
3HEC
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P38 in complex with Imatinib
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M.
Deposit date:2009-05-08
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
1KV2
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Human p38 MAP Kinase in Complex with BIRB 796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
1KX0
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Rat mannose protein A (H189V I207V) complexed with man-a13-man
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ...
Authors:Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
Deposit date:2002-01-30
Release date:2002-07-05
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
1TPS
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ATOMIC STRUCTURE OF THE TRYPSIN-A90720A COMPLEX: A UNIFIED APPROACH TO STRUCTURE AND FUNCTION
Descriptor: CALCIUM ION, INHIBITOR A90720A, TRYPSIN
Authors:Lee, A.Y, Clardy, J.
Deposit date:1994-09-04
Release date:1995-01-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Atomic structure of the trypsin-A90720A complex: a unified approach to structure and function.
Chem.Biol., 1, 1994
1TYN
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ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS
Descriptor: BETA-TRYPSIN, CYCLOTHEONAMIDE A
Authors:Lee, A.Y, Hagihara, M, Karmacharya, R, Albers, M.W, Schreiber, S.L, Clardy, J.
Deposit date:1994-09-19
Release date:1995-01-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors
J.Am.Chem.Soc., 115, 1993
1KVO
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HUMAN PHOSPHOLIPASE A2 COMPLEXED WITH A HIGHLY POTENT SUBSTRATE ANOLOGUE
Descriptor: 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID, CALCIUM ION, HUMAN PHOSPHOLIPASE A2
Authors:Cha, S.-S, Abdel-Meguid, S.S, Oh, B.-H.
Deposit date:1996-07-29
Release date:1997-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution X-ray crystallography reveals precise binding interactions between human nonpancreatic secreted phospholipase A2 and a highly potent inhibitor (FPL67047XX).
J.Med.Chem., 39, 1996
1Y09
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T-to-T(High) Quaternary Transitions in Human Hemoglobin: alphaN97A deoxy low-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-11-15
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1TNL
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PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: CALCIUM ION, TRANS-2-PHENYLCYCLOPROPYLAMINE, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
1KLT
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CRYSTAL STRUCTURE OF PMSF-TREATED HUMAN CHYMASE AT 1.9 ANGSTROMS RESOLUTION
Descriptor: CHYMASE, phenylmethanesulfonic acid
Authors:Mcgrath, M.E.
Deposit date:1997-10-16
Release date:1998-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of phenylmethanesulfonyl fluoride-treated human chymase at 1.9 A.
Biochemistry, 36, 1997
1TPP
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THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Walter, J, Bode, W, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
1Y0M
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Crystal structure of of the SH3 domain of phospholipase C Gamma-1
Descriptor: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1
Authors:Mariuzza, R, Sangwoo, C.
Deposit date:2004-11-15
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of of the SH3 domain of phospholipase C Gamma-1
To be Published
3IG7
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BU of 3ig7 by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2
Descriptor: Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
Authors:Pandit, J.
Deposit date:2009-07-27
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
2EKJ
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BU of 2ekj by Molmil
Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
Descriptor: Collagen alpha-1(XX) chain
Authors:Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-23
Release date:2007-09-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
To be Published
1Y4F
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T-To-T(High) quaternary transitions in human hemoglobin: betaW37A deoxy low-salt (10 test sets)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-11-30
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
3A7F
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Human MST3 kinase
Descriptor: Serine/threonine kinase 24 (STE20 homolog, yeast)
Authors:Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J.
Deposit date:2009-09-26
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of human MST3 kinase in complex with adenine, ADP and Mn2+.
Acta Crystallogr.,Sect.D, 66, 2010
2EM9
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Solution structure of the C2H2 type zinc finger (region 367-399) of human Zinc finger protein 224
Descriptor: ZINC ION, Zinc finger protein 224
Authors:Tomizawa, T, Tochio, N, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 367-399) of human Zinc finger protein 224
To be Published
1KRN
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BU of 1krn by Molmil
STRUCTURE OF KRINGLE 4 AT 4C TEMPERATURE AND 1.67 ANGSTROMS RESOLUTION
Descriptor: PLASMINOGEN, SULFATE ION
Authors:Stec, B, Teeter, M.M, Whitlow, M, Yamano, A.
Deposit date:1995-06-21
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of human plasminogen kringle 4 at 1.68 a and 277 K. A possible structural role of disordered residues.
Acta Crystallogr.,Sect.D, 53, 1997
1Y4V
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T-To-T(High) quaternary transitions in human hemoglobin: betaC93A deoxy low-salt (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-01
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
2EMZ
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Solution structure of the C2H2 type zinc finger (region 628-660) of human Zinc finger protein 95 homolog
Descriptor: ZINC ION, Zinc finger protein 95 homolog
Authors:Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 628-660) of human Zinc finger protein 95 homolog
To be Published
1KVX
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CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT D99A OF BOVINE PANCREATIC PLA2, 1.9 A ORTHORHOMBIC FORM
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1998-04-28
Release date:1998-11-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
2EOI
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Solution structure of the C2H2 type zinc finger (region 329-359) of human Zinc finger protein 268
Descriptor: ZINC ION, Zinc finger protein 268
Authors:Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-29
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 329-359) of human Zinc finger protein 268
To be Published

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